![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)
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C33h35n3o8 Cytidine, N-Acetyl-5'-O- [Bis (4-Methoxyphenyl) Phenylmethyl] -2'-O- Methyl-. 9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 601.65 | - |
| Dendik (texmîn kirin) | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 10.19 ± 0.20 | Temana herî acid: 25 ° C |
Smiles canonical o = c1n = c (c = cn1c2oc (c4 = 3c = cc = cc3) (c4 = cc = c (oc) c = c5) c (o) c2oc) nc (= o) c
Isomeric smiles c (oc [c @ h] 1o [c @ h] ([c @ h] 1o) c = c3) (c4 = cc = c (c4 = cc = c = c4) c5 = cc = cc = C5
Inchi
Inchi = 1s / c33h35n3o8 / c1-21 (37) 34-36 (32 (39) 35-28) 31-30 (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) 17-13-27,29-31,38h, 20h2,1-1h3, (H, 34,35,37,39) / T27-, 29-, 30-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1-, 31- / M1 - S1
Keyeya Inchi
FinuhojildNelq-Pmfucwtesa-N
1 navê din ji bo vê madeyê
N-Acetyl-5'-O- [Bis (4-Methoxyphenyl) Phenylmethyl] -2'-O-Methylcytidine (ACI)
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 8.87 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 27.8 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 171 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 515 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 650 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 668 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 668 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 657 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 560 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 229 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Mal | Giranî | Rewş | Kanî |
| 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 |
| Solubilityê dorpêçkirî ya girseyî | 1.3 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.10 G / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.032 G / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.2 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.7 x 10-3 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.4 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-3 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-3 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-3 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.6 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.9 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.3 x 10-3 g / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 2.2 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.3 x 10-5 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 8.6 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.9 x 10-6 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.3 x 10-6 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.2 x 10-6 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.2 x 10-6 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.2 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.6 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.4 x 10-6 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 2.2 x 10-6 mol / l | Avêtina avê ya unbuffered 6.99; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 601.65 | ||
| pka | 10.19 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.57 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.28 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 466.5 ± 7.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 11 | (1) ACD | |
| H qebûlkar | 11 | (1) ACD | |
| H Donors | 2 | (1) ACD | |
| H Donor / Qedexe | 13 | (1) ACD | |
| logp | 4.021 ± 0.768 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 601.65 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 128 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
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