![C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o- methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-O- methyl- (9ci, ACI) na nagtatampok ng imahe](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′-o- methyl- (9ci, ACI)
| Mga pangunahing katangian ng pisikal | Halaga | Kundisyon |
| Molekular na timbang | 601.65 | - |
| Density (hinulaang) | 1.28 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr |
| pka (hinulaang) | 10.19 ± 0.20 | Karamihan sa acidic temp: 25 ° C. |
Canonical Smiles O = C1N = C (C = CN1C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2OC) NC (= O) C.
Isomeric Smiles C (OC [C@H] 1O [C@H] ([C@H] (OC) [C @@ H] 1O) N2C (= O) N = C (NC (C) = O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C (OC) C = C4) C5 = CC = CC = C5
Inchi
Inchi = 1S/C33H35N3O8/C1-21 (37) 34-28-18-19-36 (32 (39) 35-28) 31-30 (42-4) 29 (38) 27 (44-31) 20-43-33 (22-8-6-5-7-9-22,23-10-14-25 (40-2) 15-11-23) 24-12-16-26 (41-3) 17-13-24/H5-19,27,29-31,38H, 20H2,1-4H3, (H, 34,35,37,39)/T27-, 29-, 30-, 31-/M1/S1
Inchi key
Finuhojildnelq-pmfucwtesa-n
1 iba pang pangalan para sa sangkap na ito
N-acetyl-5′-o- [bis (4-methoxyphenyl) phenylmethyl] -2′-o-methylcytidine (ACI)
| Magagamit ang mga pag -aari |
| Biological |
| Kemikal |
| Density |
| Lipinski |
| May kaugnayan sa istraktura |
Biological
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Bioconcentration factor | 8.87 | pH 1; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 27.8 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 171 | Ph 3; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 515 | Ph 4; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 650 | Ph 5; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 668 | Ph 6; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 668 | Ph 7; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 657 | Ph 8; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 560 | Ph 9; Temp: 25 ° C. | (1) ACD |
| Bioconcentration factor | 229 | 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 | 48.6 | pH 1; Temp: 25 ° C. | (1) ACD |
| KOC | 152 | Ph 2; Temp: 25 ° C. | (1) ACD |
| KOC | 935 | Ph 3; Temp: 25 ° C. | (1) ACD |
| KOC | 2820 | Ph 4; Temp: 25 ° C. | (1) ACD |
| KOC | 3560 | Ph 5; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | Ph 6; Temp: 25 ° C. | (1) ACD |
| KOC | 3660 | Ph 7; Temp: 25 ° C. | (1) ACD |
| KOC | 3600 | Ph 8; Temp: 25 ° C. | (1) ACD |
| KOC | 3070 | Ph 9; Temp: 25 ° C. | (1) ACD |
| KOC | 1250 | Ph 10; Temp: 25 ° C. | (1) ACD |
| logd | 2.14 | pH 1; Temp: 25 ° C. | (1) ACD |
| logd | 2.64 | Ph 2; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| logd | 3.43 | Ph 3; Temp: 25 ° C. | (1) ACD |
| logd | 3.91 | Ph 4; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | Ph 5; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | Ph 6; Temp: 25 ° C. | (1) ACD |
| logd | 4.02 | Ph 7; Temp: 25 ° C. | (1) ACD |
| logd | 4.01 | Ph 8; Temp: 25 ° C. | (1) ACD |
| logd | 3.94 | Ph 9; Temp: 25 ° C. | (1) ACD |
| logd | 3.55 | Ph 10; Temp: 25 ° C. | (1) ACD |
| Logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Mass intrinsic solubility | 1.3 x 10-3 g/l | Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.10 g/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 0.032 g/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 5.2 x 10-3 g/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.7 x 10-3 g/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.4 x 10-3 g/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-3 g/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-3 g/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-3 g/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.6 x 10-3 g/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 3.9 x 10-3 g/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Solubility ng Mass | 1.3 x 10-3 g/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molar intrinsic solubility | 2.2 x 10-6 mol/l | Temp: 25 ° C. | (1) ACD |
| Molar solubility | 1.7 x 10-4 mol/l | pH 1; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 5.3 x 10-5 mol/l | Ph 2; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 8.6 x 10-6 mol/l | Ph 3; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.9 x 10-6 mol/l | Ph 4; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.3 x 10-6 mol/l | Ph 5; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.2 x 10-6 mol/l | Ph 6; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.2 x 10-6 mol/l | Ph 7; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.2 x 10-6 mol/l | Ph 8; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 2.6 x 10-6 mol/l | Ph 9; Temp: 25 ° C. | (1) ACD |
| Molar solubility | 6.4 x 10-6 mol/l | Ph 10; Temp: 25 ° C. | (1) ACD |
| Ari -arian | Halaga | Kundisyon | Pinagmulan |
| Molar solubility | 2.2 x 10-6 mol/l | Hindi nabuong tubig pH 6.99; Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 601.65 | ||
| PKA | 10.19 ± 0.20 | Karamihan sa acidic temp: 25 ° C. | (1) ACD |
| PKA | 3.57 ± 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 | 1.28 ± 0.1 g/cm3 | Temp: 20 ° C; Pindutin: 760 Torr | (1) ACD |
| Dami ng molar | 466.5 ± 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 | 11 | (1) ACD | |
| H Mga Tanggap | 11 | (1) ACD | |
| H donor | 2 | (1) ACD | |
| H Donor/Acceptor Sum | 13 | (1) ACD | |
| Logp | 4.021 ± 0.768 | Temp: 25 ° C. | (1) ACD |
| Molekular na timbang | 601.65 |
(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 | 128 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
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