C40H49N4O9P Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2' -O-methyl-, 3'- [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)
Lambar Rijistar CAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
Mabuɗin Abubuwan Jiki | Daraja | Sharadi | |
Nauyin Kwayoyin Halitta | 760.81 | - | |
pKa (An annabta) | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C |
MURMUSHI na 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
MURMUSHI
C(OC[C@H] 1[C@@H](OP(N(C)C)C(C)C)OCCC#N 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
InChi Key
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Wani Sunan Wannan Abu
Uridine, 5'-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-, 3′- [2-cyanoethyl bis (1-methylethyl) phosphoramite] (9CI)
Spectra akwai
Mass
Properties akwai
Halittu
Chemical
Lipinski
Tsarin Yanayi
Dukiya | Daraja | Sharadi | Source |
Factor na Bioconcentration | 254 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 2050 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 15400 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 46000 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 57500 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 58900 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 58900 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 56800 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 42300 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Factor na Bioconcentration | 12200 | pH 10; Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Sharadi | Source |
Koc | 389 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Koc | 3140 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Koc | 23600 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Koc | 70500 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Koc | 88100 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Koc | 90300 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Koc | 90200 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Koc | 87100 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Koc | 64800 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Koc | 18700 | pH 10; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
logD | 4.21 | pH da 1; Zazzabi: 25 ° C | (1) ACD |
logD | 5.12 | pH da 2; Zazzabi: 25 ° C | (1) ACD |
logD | 6.00 | pH da 3; Zazzabi: 25 ° C | (1) ACD |
logD | 6.47 | pH da 4; Zazzabi: 25 ° C | (1) ACD |
logD | 6.57 | pH da 5; Zazzabi: 25 ° C | (1) ACD |
logD | 6.58 | pH da 6; Zazzabi: 25 ° C | (1) ACD |
logD | 6.58 | pH da 7; Zazzabi: 25 ° C | (1) ACD |
logD | 6.56 | pH da 8; Zazzabi: 25 ° C | (1) ACD |
logD | 6.44 | pH da 9; Zazzabi: 25 ° C | (1) ACD |
logD | 5.90 | pH 10; Zazzabi: 25 ° C | (1) ACD |
logP | 6.581± 0.646 | Zazzabi: 25 ° C | (1) ACD |
Mass Intrinsic Solubility | 8.4 x 10-5 g/L | Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 0.019 g/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 2.4 x 10-3 g/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 3.1 x 10-4 g/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 x 10-4 g/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.4 x 10-5 g/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.4 x 10-5 g/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.4 x 10-5 g/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.4 x 10-5 g/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 1.1 x 10-4 g/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 4.0 x 10-4 g/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Mass Solubility | 8.4 x 10-5 g/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Solubility na Ciki na Molar | 1.1 x 10-7 mol/L | Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 2.5 x 10-5 mol/L | pH da 1; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 3.1 x 10-6 mol/L | pH da 2; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 4.1 x 10-7 mol/L | pH da 3; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.4 x 10-7 mol/L | pH da 4; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | pH da 5; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | pH da 6; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | pH da 7; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | pH da 8; Zazzabi: 25 ° C | (1) ACD |
Dukiya | Daraja | Sharadi | Source |
Solubility na Molar | 1.5 x 10-7 mol/L | pH da 9; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 5.2 x 10-7 mol/L | pH 10; Zazzabi: 25 ° C | (1) ACD |
Solubility na Molar | 1.1 x 10-7 mol/L | Ruwan da ba a buƙata ba pH 7.00; Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 760.81 | ||
pKa | 9.39± 0.10 | Mafi yawan zafin jiki: 25 ° C | (1) ACD |
pKa | 3.45± 0.70 | Mafi Asalin Zazzabi: 25 ° C | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Sharadi | Source |
Ƙimar Rarraba Kyauta | 18 | (1) ACD | |
H Masu karɓa | 13 | (1) ACD | |
H Masu Ba da taimako | 1 | (1) ACD | |
H Donor/Acceptor Sum | 14 | (1) ACD | |
logP | 6.581± 0.646 | Zazzabi: 25 ° C | (1) ACD |
Nauyin Kwayoyin Halitta | 760.81 |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dukiya | Daraja | Tushen yanayi |
Wuri Mai Girma | 155 A2 | (1) ACD |
(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra akwai
1 H NMR
13 C NMR
Lambar | Bayanin Hazard | Source |
H335 | Zai iya haifar da haushin numfashi | Kwararre Cuted |
H331 | Mai guba idan an shaka | Kwararre Cuted |
H319 | Yana haifar da tsananin haushin ido | Kwararre Cuted |
H315 | Yana haifar da haushin fata | Kwararre Cuted |
Lambar | Bayanin Hazard | Source |
H311 | Mai guba a lamba tare da fata | Kwararre Cuted |
H301+H311+H331 | Mai guba idan an haɗiye, cikin hulɗa da fata ko na numfashi | Kwararre Cuted |
H301 | Mai guba idan an hadiye shi | Kwararre Cuted |