C34h39n3o8 cytidine, 5'-o- [bis (4-metoxyphenyl) fenylmethyl] -2'-o- (2-methox yethyl) -5-methox (9ci, aci)
Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
Giraniya molekul | 617.69 | - |
Point Point (texmîn kirin) | 762.6 ± 70.0 ° C | Pressapkirin: 760 Torr |
Dendik (texmîn kirin) | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
PKA (texmîn kirin) | 13.31 ± 0.70 | Temana herî acid: 25 ° C |
Smiles canonical o = c1n = c (n) c (= cn1c2oc (coc (c = 3c = c = c4) (oc) c = c5) c (o) c2occoc) c
Isomeric smiles c (oc [c @ h] 1o [c @ h] ([c3 = cc = c = c3) (c4 = cc = c (c4) c4) c5 = cc = cc = C5
Inchi
Inchi = 1s / c34h39n3o8 / c1-22-20-37 (22) 35) 32-30 (43-19-18-40-2) 29 (38-32) 21-44-34 (23-8-6-5-7-9-23,24-10-14-26 (4 1-3) 15-11-16-27 (42-4) 17-13-25 / h5-17,20,28h, 18-19,21h2,1-4h3, (h2,35,36,39) / T28-, 29- / 25-, 32- / M1 - S1
Keyeya Inchi
LykTVjjXZQtNPK-PbamlimUSA-N
24 Navên din ên ji bo vê madeyê
5'-o- [Bis (4-metoxyphenyl) Phenylmethyl] -2'-o- (2-methoxyethyl) -5-methylcytidine (ACI); 11: pn: US20030170636 Rûpel: 17 îdîa kir ku RNA; 12: pn: US20030211606 Rûpel: 18 îdîa kir r na; 12: pn: US20030212017 Rûpel: 19 îdîa kir r na; 14: pn: US20040005569 pag E: 21 îdîa kir r na; 15: pn: US20040005565 Rûpel: 17- 22 22 RNA îdîa kir; 15: pn: US20040005570 Rûpel: 19 îdîa kir r na; 15: pn: u s20040006030 Rûpel: 22 îdîa kir r na; 15: pn: US20040014048 Rûpel: 19 îdîa kir r na; 16: pn: US2003017131 Rûpel: 9 Daxuyanî RNA; 16: pn: US20030198965 Rûpel: 19 îdîa kir r na; 16: pn: US20040014047 Rûpel: 19 îdîa kir r na; 16: pn: US20040014049 Rûpel:
19 îdîa kir RNA; 17: pn: US20040014051 Rûpel: 21 îdîa kir r na; 17: pn: US20040014699 Rûpel: 19 îdîa kir r na; 17: pn: W
O03106645 Rûpel: 69 îdîa kir r na; 18: pn: US20040006029 Rûpel: 22 îdîa kir r na; 2'-o-methoxyethyl-5'-o-dimethoxytrityl-5- methylcytidine; 58: pn: US20030166592 Rûpel: 15 îdîa kir r na; 5: pn: wo2005006958 Rûpel: 61 îdîa kir r na; 7: pn: WO20050 07825 Rûpel: 61 îdîa kir r na; 82: pn: US20040171566 Rûpel: 18 îdîa kir r na; 89: pn: US20040005707 Rûpel: 19 îdîa kir r na; 9: pn: WO03084478 Rûpel: 56 îdîa kir r na
Taybetmendiyên berdest |
Bedirî |
Şîmyakî |
Dendetî |
Lipinski |
Struktura têkildar |
Thermal |
Bedirî
Mal | Giranî | Rewş | Kanî |
Faktora BioconCentration | 1.56 | PH 1; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 1.99 | PH 2; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 6.19 | PH 3; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 38.0 | PH 4; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 116 | PH 5; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 146 | PH 6; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 150 | PH 7; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 151 | PH 8; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 151 | PH 9; Temp: 25 ° C | (1) ACD |
Faktora BioconCentration | 151 | 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 | 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 |
Mal | Giranî | Rewş | Kanî |
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 |
Solubilityê dorpêçkirî ya girseyî | 5.2 x 10-3 g / l | Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.51 G / L | PH 1; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.40 g / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.13 G / L | PH 3; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 0.020 g / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 6.8 x 10-3 g / l | PH 5; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.4 x 10-3 g / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.3 x 10-3 g / l | PH 7; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.2 x 10-3 g / l | PH 8; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.2 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.2 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
Solubility girseyî | 5.3 x 10-3 g / l | Wateriyayê Unbuffered PH 7.05; Temp: 25 ° C | (1) ACD |
Solubility ya hundurîn a molar | 8.4 X 10-6 Mol / L | Temp: 25 ° C | (1) ACD |
Solubility molar | 8.2 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
Solubility molar | 6.4 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
Solubility molar | 2.1 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
Solubility molar | 3.3 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
Solubility molar | 1.1 x 10-5 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
Mal | Giranî | Rewş | Kanî |
Solubility molar | 8.7 x 10-6 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.5 x 10-6 Mol / L | PH 7; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.4 X 10-6 Mol / L | PH 8; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.4 X 10-6 Mol / L | PH 9; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.4 X 10-6 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
Solubility molar | 8.5 x 10-6 Mol / L | Wateriyayê Unbuffered PH 7.05; Temp: 25 ° C | (1) ACD |
Giraniya molekul | 617.69 | ||
pka | 13.31 ± 0.70 | Temana herî acid: 25 ° C | (1) ACD |
pka | 4.58 ± 0.10 | Temana herî bingehîn: 25 ° C | (1) ACD |
Zexta vapor | 1.89 x 10-24 Torr | Temp: 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 | 1.27 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
Molar Volume | 483.8 ± 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 | 14 | (1) ACD | |
H qebûlkar | 11 | (1) ACD | |
H Donors | 3 | (1) ACD | |
H Donor / Qedexe | 14 | (1) ACD | |
logp | 3.169 ± 0.598 | Temp: 25 ° C | (1) ACD |
Giraniya molekul | 617.69 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
Mal | Giranî | Rewş | Kanî |
Qada pola polar | 134 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Thermal
Mal | Giranî | Rewş | Kanî |
Xala zirav | 762.6 ± 70.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
Enthalpy ya vaporîzasyonê | 116.53 ± 3.0 Kj / Mol | Pressapkirin: 760 Torr | (1) ACD |
Point Point | 415.0 ± 35.7 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr