C39H46FN4O8P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2'-deoxy-2'- fluoro-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) fosphoramidite] (ACI) )
Lambarka Diiwaanka CAS
146954-75-8
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad |
Miisaanka Molecular | 748.78 | - |
pKa (La saadaaliyay) | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C=CC(= O)NC5=O)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](F)[C@@ H](O1)N2C(=O)NC(=O)C=C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC =C5
InChi
InChi= 1S/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43-23- 21-34(45)42-38(43)46)25-49-39(28-11) -8-7-9-12-28,29-13-17-31(47-5)18-14-29)30-15-19-32(48-6)20-16-3 0/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1-6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1
Furaha InChi
HQHQPAYRJJMYQX-DJTPZYMWSA-N
1 Magaca kale ee walaxdan
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-deoxy-2'-fluoro-, 3'- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 457 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 3690 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 27700 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 82900 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.04 x 105 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.06 x 105 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.06 x 105 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 1.02 x 105 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 76200 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 22000 | 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)
Isha Xaaladda Qiimaha Hantida |
Koc 592 pH 1; Heerkulka: 25 °C (1) ACD |
Koc 4790 pH 2; Heerkulka: 25 °C (1) ACD |
Koc 36000 pH 3; Heerkulka: 25 °C (1) ACD |
Koc 1.07 x 105 pH 4; Heerkulka: 25 °C (1) ACD |
Koc 1.34 x 105 pH 5; Heerkulka: 25 °C (1) ACD |
Koc 1.38 x 105 pH 6; Heerkulka: 25 °C (1) ACD |
Koc 1.37 x 105 pH 7; Heerkulka: 25 °C (1) ACD |
Koc 1.33 x 105 pH 8; Heerkulka: 25 °C (1) ACD |
Koc 98800 pH 9; Heerkulka: 25 °C (1) ACD |
Koc 28600 pH 10; Heerkulka: 25 °C (1) ACD |
logD 4.55 pH 1; Heerkulka: 25 °C (1) ACD |
logD 5.46 pH 2; Heerkulka: 25 °C (1) ACD |
logD 6.33 pH 3; Heerkulka: 25 °C (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logD | 6.81 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 6.91 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 6.92 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 6.92 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 6.90 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 6.77 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 6.23 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 6.918± 0.641 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 2.2 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 5.1 x 10-3 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 6.3 x 10-4 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 8.2 x 10-5 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.8 x 10-5 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.2 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.2 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.2 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.2 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 3.0 x 10-5 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 1.0 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Xalka tirada badan | 2.2 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 2.9 x 10-8 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 6.8 x 10-6 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 8.4 x 10-7 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.7 x 10-8 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.0 x 10-8 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.9 x 10-8 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.9 x 10-8 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.0 x 10-8 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.0 x 10-8 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.9 x 10-8 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Miisaanka Molecular | 748.78 | ||
pKa | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C | (1) ACD |
pKa | 3.45±0.70 | 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 | 17 | (1) ACD | |
H Aqbalayaasha | 12 | (1) ACD | |
H Deeq-bixiyayaasha | 1 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 13 | (1) ACD | |
logP | 6.918± 0.641 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 748.78 |
(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 | 145 A2 | (1) ACD |
(1) Waxaa la xisaabiyay iyadoo la isticmaalayo Horumarinta Kiimikada Sare (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)