![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315 na nagtatampok ng imahe](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Cytidine, N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 721.80 | - |
| Natutunaw na punto (eksperimentong) | 107-110 ° C. | - |
| Density (hinulaang) | 1.26 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 8.60 ± 0.40 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C1N = C (NC (= O) C = 2C = CC = CC2) C (= CN1C3OC (COC (C = 4C = CC = CC4) (C5 = CC = C (OC) C = C5) C6 = CC = C (OC) C = C6) C (O) C3OCC) c
Ngumiti si Isomeric
C (oc [c@h] 1o [c@h] ([c@h] (occoc) [c @@ h] 1o) n2c (= o) n = c (nc (= o) c3 = cc = cc = c3) c (c) = c2) (c4 = cc = c (oc) c = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1S/C41H43N3O9/C1-27-25-44 (40 (47) 43-37 (27) 42-38 (46) 28-11-7-5-8-12-28) 39-36 (51-24-23-48-2) 35 (45) 34 (53-39) 26-52-41 (29-13
-9-6-10-14-29,30-15-19-32 (49-3) 20-16-30) 31-17-21-33 (50-4) 22-18-31/H5-22,25,34-36,39,45h, 23-24,26H2,1-4H3, (H, 42,43,46,47)/T34-, 3 5-, 36-, 39-/m1/s1
Inchi key
Byscluaikfefah-lzurgkrnsa-n
23 iba pang mga pangalan para sa sangkap na ito
N-Benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI); 10: PN: WO03084478 Pahina: 57 inaangkin ang RNA; 12: PN: US20030170636 Pahina: 17 inaangkin si R Na; 13: PN: US20030212017 Pahina: 19 inaangkin si R Na; 14: PN: US20030
211606 Pahina: 19 inaangkin si R Na; 15: PN: US20040005569 Pahina: 22 inaangkin si R Na; 16: PN: US20040006030 Pahina: 22 inaangkin si R Na; 16: PN: US20040014048 Pahina: 20 inaangkin si R Na; 17: PN: US20030171313 Pahina: 9 Inangkin si R Na; 17: PN: US20040005565 Pahina: 17- 22 inaangkin ang RNA; 17: PN: US20040005570 Pahina: 20 inaangkin si R Na; 17: PN: US20040014047 Pahina: 20 inaangkin si R Na; 17: PN: US20040 014050 Pahina: 20 inaangkin si R Na; 18: PN: US20030198965 Pahina: 19 inaangkin si R Na; 18: PN: US20040014699 Pahina: 20 inaangkin si R Na; 19: PN: US20040006029 Pahina: 23 inaangkin si R Na; 19: PN: WO03106645 Pahina: 71 inaangkin si R Na; 59: PN: US20030166592 Pahina: 15 inaangkin ang RNA; 6: PN: WO2005006958 Pahina: 62 inaangkin si R Na; 83: PN: US20040171566 Pahina: 18 inaangkin si R Na; 8: PN: WO2005007825
Pahina: 62 inaangkin si R Na; 90: PN: US20040005707 Pahina: 20 inaangkin si R Na; N4-Benzoyl-2′-O-methoxyethyl-5′-o-dimethoxytrityl-5-
Methylcytidine
| Magagamit ang mga pag -aari |
| Thermal |
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Natutunaw na punto | 107-110 ° C. | (1) Cas | |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37 (4), 232-247, Caplus
Magagamit ang spectra
1h nmr
13c nmr
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 291 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 644 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3690 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 15600 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 23700 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 24800 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 23300 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 14100 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 3010 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 558 | Ph 10; Temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Kemikal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 569 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 7210 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 30400 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 46300 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 48500 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 45500 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 27500 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 5890 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1090 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 4.16 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 4.50 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 5.26 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 5.88 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 6.07 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 6.09 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 6.06 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 5.84 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 5.17 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 4.44 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 1.3 x 10-4 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.011 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.0 x 10-3 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 8.7 x 10-4 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.1 x 10-4 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Solubility ng Mass | 1.4 x 10-4 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-4 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.4 x 10-4 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 2.3 x 10-4 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.1 x 10-3 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.8 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.4 x 10-4 g/l | Hindi nabuong tubig pH 6.97; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 1.8 x 10-7 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-5 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.9 x 10-6 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.2 x 10-6 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-7 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.9 x 10-7 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.8 x 10-7 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.9 x 10-7 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.2 x 10-7 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.5 x 10-6 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.0 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.9 x 10-7 mol/l | Hindi nabuong tubig pH 6.97; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 721.80 | ||
| PKA | 8.60 ± 0.40 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.87 ± 0.20 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Density
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Density | 1.26 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 572.5 ± 7.0 cm3/mol | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Malayang rotatable bond | 15 | (1) ACD | |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| H Mga Tanggap | 12 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| Logp | 6.093 ± 0.720 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 721.80 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
May kaugnayan sa istraktura
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Polar Surface Area | 137 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Magagamit ang spectra
1h nmr
13c nmr
| Code | Pahayag ng peligro | Pinagmulan |
| H335 | Maaaring maging sanhi ng pangangati sa paghinga | European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -label - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Karaniwang Mga Abiso, European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -iimbak - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Malubhang Abiso |
| H319 | Sanhi ng malubhang pangangati sa mata | European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -label - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Karaniwang Mga Abiso, European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -iimbak - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Malubhang Abiso |
| H315 | Nagiging sanhi ng pangangati ng balat | European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -label - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Karaniwang Mga Abiso, European Chemical Agency (ECHA) Pag -uuri at Pag -label ng Pag -iimbak - Nabatid na Pag -uuri at Pag -label - Karamihan sa Mga Malubhang Abiso |
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