![C34H39N3O8 Cytidine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox nethyl) -5-methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C34H39N3O8 cytidine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox nothyl) -5-methyl- (9ci, ACI) na itinampok na imahe](https://cdn.globalso.com/nvchem/C34H39N3O8-Cytidine.jpg)
C34H39N3O8 Cytidine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methox nethyl) -5-methyl- (9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 617.69 | - |
| Boiling point (hinulaang) | 762.6 ± 70.0 ° C. | Pindutin: 760 Torr |
| Density (hinulaang) | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 13.31 ± 0.70 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C1N = C (N) C (= CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OCCOC) C.
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OCCOC) [C @@ H] 1O) N2C (= O) N = C (N) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C34H39N3O8/C1-22-20-37 (33 (39) 36-31 (22) 35) 32-30 (43-19-18-40-2) 29 (38) 28 (45-32) 21-44-34 (23-8-6-5-7-9-23,24-10-14-26 (4 1-3) 15-11-24) 25-12-16-27 (42-4) 17-13-25/H5-17,20,28-30,32,38H, 18-19,21H2,1-4H3, (H2,35,36,39)/T28-, 29-, 30-, 32-/m1/s1
Inchi key
Lyktvjjxzqtnpk-pbamlimusa-n
24 Iba pang mga pangalan para sa sangkap na ito
5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- (2-methoxyethyl) -5-methylcytidine (ACI); 11: PN: US20030170636 Pahina: 17 inaangkin ang RNA; 12: PN: US20030211606 Pahina: 18 inaangkin si R Na; 12: PN: US20030212017 Pahina: 19 inaangkin si R Na; 14: PN: US20040005569 Pag E: 21 inaangkin si R Na; 15: PN: US20040005565 Pahina: 17- 22 inaangkin ang RNA; 15: PN: US20040005570 Pahina: 19 inaangkin si R Na; 15: PN: U S20040006030 Pahina: 22 inaangkin si R Na; 15: PN: US20040014048 Pahina: 19 inaangkin si R Na; 16: PN: US20030171313 Pahina: 9 Inangkin ang RNA; 16: PN: US20030198965 Pahina: 19 inaangkin si R Na; 16: PN: US20040014047 Pahina: 19 inaangkin si R Na; 16: PN: US20040014049 Pahina:
19 inangkin ang RNA; 17: PN: US20040014051 Pahina: 21 inaangkin si R Na; 17: PN: US20040014699 Pahina: 19 inaangkin si R Na; 17: Pn: w
O03106645 Pahina: 69 Inangkin si R Na; 18: PN: US20040006029 Pahina: 22 inaangkin si R Na; 2′-O-methoxyethyl-5′-o-dimethoxytrityl-5- methylcytidine; 58: PN: US20030166592 Pahina: 15 inaangkin si R Na; 5: PN: WO2005006958 Pahina: 61 inaangkin si R Na; 7: PN: WO20050 07825 Pahina: 61 inaangkin si R Na; 82: PN: US20040171566 Pahina: 18 inaangkin si R Na; 89: PN: US20040005707 Pahina: 19 inaangkin si R Na; 9: PN: WO03084478 Pahina: 56 inaangkin si R Na
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
| Thermal |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 1.56 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 1.99 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 6.19 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 38.0 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 116 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 146 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 150 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 151 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 151 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 151 | 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 | 13.0 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 16.6 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 51.8 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 318 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 966 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 1220 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| KOC | 1260 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1260 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 1.18 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 1.29 | Ph 2; Temp: 25 ° C. | (1) ACD |
| logd | 1.78 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 2.57 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 3.05 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 3.16 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.17 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 5.2 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.51 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.40 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.13 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.020 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 6.8 x 10-3 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.4 x 10-3 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.3 x 10-3 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 x 10-3 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 x 10-3 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.3 x 10-3 g/l | Hindi nabuong tubig pH 7.05; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 8.4 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.2 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.4 x 10-4 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.1 x 10-4 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 3.3 x 10-5 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.1 x 10-5 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 8.7 x 10-6 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.5 x 10-6 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.4 x 10-6 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.4 x 10-6 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.4 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.5 x 10-6 mol/l | Hindi nabuong tubig pH 7.05; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 617.69 | ||
| PKA | 13.31 ± 0.70 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 4.58 ± 0.10 | Karamihan sa mga pangunahing temp: 25 ° C. | (1) ACD |
| Presyon ng singaw | 1.89 x 10-24 Torr | 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 | 1.27 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 483.8 ± 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 | 14 | (1) ACD | |
| H Mga Tanggap | 11 | (1) ACD | |
| H donor | 3 | (1) ACD | |
| H Donor/Acceptor Sum | 14 | (1) ACD | |
| Logp | 3.169 ± 0.598 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 617.69 |
(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 | 134 A2 | (1) ACD | |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software v11.02 (© 1994-2023 ACD/Labs)
Thermal
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Boiling point | 762.6 ± 70.0 ° C. | Pindutin: 760 Torr | (1) ACD |
| Enthalpy ng singaw | 116.53 ± 3.0 kJ/mol | Pindutin: 760 Torr | (1) ACD |
| Flash point | 415.0 ± 35.7 ° C. | (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
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