C50h60n5o10p Cytidine, N-Benzoyl-5 '-O- [BIS (4-Methoxyphyl) -2' -o-
Hejmara Registry
163759-94-2
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 922.01 | - |
| PKA (texmîn kirin) | 8.59 ± 0.40 | Temana herî acid: 25 ° C |
Hespên Canonîkî
N # CCHOP (OC1C (OC (N2C = C (C (= nc2 = O) NC (C = 4C = CC = CC3) (c5 = cc = C (OC) c = c 6) n (c (c) c) c (c) c
Isomeric bişirîn
C (OC [C @@ H] 1 [C @@ h] (Op (c (c) c) (c) c] (= o) n = c (= o) c3 = cc = c2) (c4 = cc) = C (OC) C = c4) (c5 = cc = c (oc) c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c50h60n5o10p / c1-34 (2) 55 (35 (3) 4) 66 (63-29-15-13 (33-62-13-13-10-18-19-38,39-20-19-38,39-7-19-41 (59-7) 25-21-39 ) 40-16-8) 64-48 (45 (44) 61-31-32-36 (5) 46 (53-49 (56) 57) 52-16-11-9-12-16-37 / H9-14,16-27,32,34 35,43-45,48h, 15,29-31,33h2,1-8h3, (H, 52,53,56,57) / T43-, 44-, 45-, 48-, 66? / M1 / S1
Keyeya Inchi
Fligvmliidvdsn-gicdfoiuusa-n
26 navên din ji bo vê madeyê
Cytidine,N-benzoyl-5 '-O- [BIS (4-Methoxyphenyl) Phenylmethyl] -2 '-O- (2-Methoxethyl) - 5-methyl-, 3 '- [2-cyanoethyl bis (1-methylethyl) phosphoramidite] (9CI); 12: pn: WO03084478 Rûpel: 57 DNA îdîa kir; 14: pn: US20030170636 Rûpel: 17 DNA îdîa kir; 15: pn: u
S20030211606 Rûpel: 19 îdîa kir DNA; 15: pn: US20030212017 Rûpel: 19 îdîa DNA; 16: pn: US20040005569 Rûpel: 22 DNA îdîa kir; 17: pn: US20040006030 Rûpel: 23 DNA îdîa kir; 17: pn: US20040014049 Rûpel: 20 DNA îdîa kir; 18: pn: US20040014047 PAG E: 20 DNA îdîa kir; 18: pn: US20040014048 Rûpel: 20 DNA îdîa kir; 18: pn: US20040014050 rûpel: 20 DNA îdîa kir; 19: pn: U
S20030171313 Rûpel: 9 DNA îdîa kir; 19: pn: US20030198965 Rûpel: 20 DNA îdîa kir; 19: pn: US20040005565 Rûpel: 17- 22 22 DNA îdîa kir; 19: pn: US20040005570 Rûpel: 20 DNA îdîa kir; 19: pn: US20040014051 Rûpel: 22 DNA îdîa kir; 20: pn: US20040014699 pag
E: 20 DNA îdîa kir; 21: pn: US20040006029 Rûpel: 23 DNA îdîa kir; 21: pn: WO03106645 Rûpel: 72 DNA îdîa kir; 61: pn: US20030
166592 Rûpel: 15 DNA îdîa kir; 7: PN: WO2005006958 Rûpel: 62 DNA îdîa kir; 84: pn: US20040171566 Rûpel: 18 îdîa kir ku DNA; 92:
Pn: US20040005707 Rûpel: 20 DNA îdîa kir; 9: PN: WO2005007825 Rûpel: 62 DNA îdîa kir;N4-benzoyl-2 '-O-methoxyethyl-5-O- DimethoxyRityl-5-Methylcytidine-3 '-Phosphoramidite;N4-benzoyl-2 '-O-methoxyethyl-5 '-O-Dimethoxytrityl-5-methylcytidine-3 '- Amidite
Spectra peyda dibe
13 C NMR
Hetero nmr
Taybetmendiyên berdest
Bedirî
Şîmyakî
Lipinski
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 171 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1250 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 47600 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 6.44 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.00 x 106 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 7.79 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.63 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 30800 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Koc | 106 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 773 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 29500 | PH 3; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 3.99 x 105 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 8.02 x 105 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 8.70 x 105 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 8.16 x 105 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 4.83 x 105 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 1.01 x 105 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 19100 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.48 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 5.34 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 6.92 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 8.06 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 8.36 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 8.39 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 8.37 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 8.14 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 7.46 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 6.73 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 1.4 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.1 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.16 G / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 4.1 x 10-3 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.0 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.5 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.4 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.5 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.5 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.2 x 10-3 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 6.3 x 10-3 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 1.5 x 10-4 g / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.5 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.2 x 10-3 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 1.7 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 4.4 x 10-6 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 3.2 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.7 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.8 x 10-6 Mol / L | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.6 x 10-7 mol / l | Avêtina avê ya unbuffered 6.97; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 922.01 | ||
| pka | 8.59 ± 0.40 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 3.87 ± 0.20 | Temana herî bingehîn: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 22 | (1) ACD | |
| H qebûlkar | 15 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 16 | (1) ACD | |
| logp | 8.401 ± 0.723 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 922.01 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
| Mal | Giranî | Çavkaniya şertê |
| Qada pola polar | 176 A2 | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1 H NMR
13 C NMR
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