C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
Lambarka Diiwaanka CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
Qalabka Jidhka ee Furaha ah | Qiimaha | Xaalad | |
Miisaanka Molecular | 760.81 | - | |
pKa (La saadaaliyay) | 9.39±0.10 | Heerkulka ugu acidic badan: 25 °C |
Dhoola-cadaynta Canonical
N#CCCOP(OC1C(OC(N2C=CC(=O) NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)N(C(C)C)C(C)C
Dhoola-caddeyn
C (OC[C@@H]1[C@@H] (OP(N(C)C)C(C)C)OCCC#N)[C@@H](OC) 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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7)43- 24-22-35(45)42-39(43)46)26-50-40(29-1) 2-9-8-10-13-29,30-14-18-32(47-5)19-15-30)31-16-20-33(48-6)21-17-31/h8- 10,12-22,24,27-28,34,36-38H,11,25-26H2,1-7H3,
(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1
Furaha InChi
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Magaca kale ee walaxdan
Uridine, 5′-O- [bis (4-methoxyphenyl) phenylmethyl] -2′ -O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) fosphoramide] (9CI)
Spectra waa la heli karaa
Mass
Guryaha la heli karo
Nafley
Kiimiko
Lipinski
Qaab-dhismeedka La Xiriira
Hanti | Qiimaha | Xaalad | Xigasho |
Qodobka bioconcentration | 254 | pH 1; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 2050 | pH 2; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 15400 | pH 3; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 46000 | pH 4; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 57500 | pH 5; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 58900 | pH 6; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 58900 | pH 7; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 56800 | pH 8; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 42300 | pH 9; Heerkulka: 25 °C | (1) ACD |
Qodobka bioconcentration | 12200 | 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 | 389 | pH 1; Heerkulka: 25 °C | (1) ACD |
Koc | 3140 | pH 2; Heerkulka: 25 °C | (1) ACD |
Koc | 23600 | pH 3; Heerkulka: 25 °C | (1) ACD |
Koc | 70500 | pH 4; Heerkulka: 25 °C | (1) ACD |
Koc | 88100 | pH 5; Heerkulka: 25 °C | (1) ACD |
Koc | 90300 | pH 6; Heerkulka: 25 °C | (1) ACD |
Koc | 90200 | pH 7; Heerkulka: 25 °C | (1) ACD |
Koc | 87100 | pH 8; Heerkulka: 25 °C | (1) ACD |
Koc | 64800 | pH 9; Heerkulka: 25 °C | (1) ACD |
Koc | 18700kii | pH 10; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
logD | 4.21 | pH 1; Heerkulka: 25 °C | (1) ACD |
logD | 5.12 | pH 2; Heerkulka: 25 °C | (1) ACD |
logD | 6.00 | pH 3; Heerkulka: 25 °C | (1) ACD |
logD | 6.47 | pH 4; Heerkulka: 25 °C | (1) ACD |
logD | 6.57 | pH 5; Heerkulka: 25 °C | (1) ACD |
logD | 6.58 | pH 6; Heerkulka: 25 °C | (1) ACD |
logD | 6.58 | pH 7; Heerkulka: 25 °C | (1) ACD |
logD | 6.56 | pH 8; Heerkulka: 25 °C | (1) ACD |
logD | 6.44 | pH 9; Heerkulka: 25 °C | (1) ACD |
logD | 5.90 | pH 10; Heerkulka: 25 °C | (1) ACD |
logP | 6.581± 0.646 | Heerkulka: 25 °C | (1) ACD |
Solubility Mass Intrinsic | 8.4 x 10-5 g/L | Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 0.019 g/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 2.4 x 10-3 g/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 3.1 x 10-4 g/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.1 x 10-4 g/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 8.4 x 10-5 g/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 8.4 x 10-5 g/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 8.4 x 10-5 g/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 8.4 x 10-5 g/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 1.1 x 10-4 g/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 4.0 x 10-4 g/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Mass | 8.4 x 10-5 g/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Solubility Intrinsic Molar | 1.1 x 10-7 mol/L | Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 2.5 x 10-5 mol/L | pH 1; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 3.1 x 10-6 mol/L | pH 2; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 4.1 x 10-7 mol/L | pH 3; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.4 x 10-7 mol/L | pH 4; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | pH 5; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | pH 6; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | pH 7; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | pH 8; Heerkulka: 25 °C | (1) ACD |
Hanti | Qiimaha | Xaalad | Xigasho |
Solubility Molar | 1.5 x 10-7 mol/L | pH 9; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 5.2 x 10-7 mol/L | pH 10; Heerkulka: 25 °C | (1) ACD |
Solubility Molar | 1.1 x 10-7 mol/L | Biyaha aan la daboolin pH 7.00; Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 760.81 | ||
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 | 18 | (1) ACD | |
H Aqbalayaasha | 13 | (1) ACD | |
H Deeq-bixiyayaasha | 1 | (1) ACD | |
Ku-deeqaha/Aqbalka Wadarta | 14 | (1) ACD | |
logP | 6.581± 0.646 | Heerkulka: 25 °C | (1) ACD |
Miisaanka Molecular | 760.81 |
(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 | 155 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
Koodhka | Bayaanka Khatarta | Xigasho |
H335 | Waxa laga yaabaa inay keento cuncun xagga neefsiga ah | Khabiir ayaa la qiimeeyay |
H331 | Sun haddii la nuugo | Khabiir ayaa la qiimeeyay |
H319 | Waxay sababtaa cuncun indhaha oo halis ah | Khabiir ayaa la qiimeeyay |
H315 | Waxay sababtaa cuncun maqaarka | Khabiir ayaa la qiimeeyay |
Koodhka | Bayaanka Khatarta | Xigasho |
H311 | Sunta maqaarka la taabto | Khabiir ayaa la qiimeeyay |
H301+H311+H331 | Sun ah haddii la liqo, maqaarka taabto ama la nuugo | Khabiir ayaa la qiimeeyay |
H301 | Sun ah haddii la liqo | Khabiir ayaa la qiimeeyay |