C50H60N5O10P Cytidine, N-benzoyl-5'-O- [bis(4-methoxyphenyl) phenylmethyl]-2'-O- (2-methoxyethyl) - 5-methyl-, 3'- [2-cyanoethyl N,N-bis (1-methylethyl) phosphoramidite] (ACI)
Lambarka Diiwaanka CAS
163759-94-2
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 922.01 | - |
pKa (La saadaaliyay) | 8.59±0.40 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)) NC(=O)C=3C=CC=CC3)C)C1OCCOC =C(OC)C=C5)C6=CC=C(OC)C=C 6)N(C(C)C)C(C)C
Dhoola-caddeyn
C (OC[C@@H] 1[C@@H] (OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=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(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45(45) 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ 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
Furaha InChi
FLIGVMLIIDVDSN-GICDFOIUSA-N
26 Magacyo kale oo Walaxdan ah
Cytidine,N-benzoyl-5′ -O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-(2-methoxyethyl) - 5-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI); 12: PN: WO03084478 PAGE: 57 ayaa sheegtay DNA; 14: PN: US20030170636 PAGE: 17 DNA sheegtay; 15: PN: U
S20030211606 PAGE: 19 ayaa sheegtay DNA; 15: PN: US20030212017 PAGE: 19 DNA sheegtay; 16: PN: US20040005569 PAGE: 22 DNA sheegtay; 17: PN: US20040006030 PAGE: 23 DNA sheegtay; 17: PN: US20040014049 PAGE: 20 ayaa sheegtay DNA; 18: PN: US20040014047 PAG E: 20 ayaa sheegtay DNA; 18: PN: US20040014048 PAGE: 20 ayaa sheegtay DNA; 18: PN: US20040014050 PAGE: 20 ayaa sheegtay DNA; 19: PN: U
S20030171313 BOGGA: 9 DNA sheegtay; 19: PN: US20030198965 PAGE: 20 ayaa sheegtay DNA; 19: PN: US20040005565 PAGE: 17- 22 ayaa sheegtay DNA; 19: PN: US20040005570 PAGE: 20 ayaa sheegtay DNA; 19: PN: US20040014051 PAGE: 22 DNA sheegtay; 20: PN: US20040014699 PAG
E: 20 DNA sheegtay; 21: PN: US20040006029 PAGE: 23 DNA sheegtay; 21: PN: WO03106645 PAGE: 72 DNA sheegtay; 61: PN: US20030
166592 PAGE: 15 ayaa sheegtay DNA; 7: PN: WO2005006958 PAGE: 62 DNA sheegtay; 84: PN: US20040171566 PAGE: 18 ayaa sheegtay DNA; 92:
PN: US20040005707 PAGE: 20 DNA sheegtay; 9: PN: WO2005007825 PAGE: 62 DNA sheegtay;N4-Benzoyl-2′-OMethoxyethyl-5-O- dimethoxytrityl-5-methylcytidine-3′-phosphoramide;N4-Benzoyl-2′-O-methoxyethyl-5′-O-dimethoxytrityl-5-methylcytidine-3′- amidite
Spectra waa la heli karaa
13 C NMR
Hetero NMR
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 171 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1250 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 47600 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 6.44 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.00 x 106 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.00 x 106 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.00 x 106 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 7.79 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.63 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 30800 | pH 10; Heerkulka: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 106 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 773 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 29500 | pH 3; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Koc | 3.99 x 105 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 8.02 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 8.70 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 8.16 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 4.83 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 1.01 x 105 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 19100kii | pH 10; Heerkulka: 25 °C | (1) ACD |
logD | 4.48 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.34 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 6.92 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 8.06 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 8.36 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 8.39 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 8.37 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 8.14 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 7.46 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.73 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 8.401± 0.723 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 1.4 x 10-4 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.1 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 0.16 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 4.1 x 10-3 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.0 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.5 x 10-4 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.4 x 10-4 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.5 x 10-4 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.5 x 10-4 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.2 x 10-3 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 6.3 x 10-3 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.5 x 10-4 g/L | Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.5 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.2 x 10-3 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 1.7 x 10-4 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.4 x 10-6 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.2 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.5 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.7 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.3 x 10-6 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.8 x 10-6 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.6 x 10-7 mol/L | Biyaha aan la daboolin pH 6.97; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 922.01 | ||
pKa | 8.59±0.40 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.87±0.20 | Heerkulka ugu badan ee aasaasiga ah: 25 °C | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Xaalad | Xigasho |
Boondhigyo si xor ah loo wareejin karo | 22 | (1) ACD | |
H Aqbalayaasha | 15 | (1) ACD | |
H Deeq-bixiyayaasha | 1 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 16 | (1) ACD | |
logP | 8.401± 0.723 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 922.01 |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Hanti | Qiimaha | Isha Xaaladda |
Aagga dusha sare ee Polar | 176 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra waa la heli karaa
1 H NMR
13 C NMR