C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)
Inombolo yoBhaliso yeCAS
110764-79-9
H335, H331, H319, H315, H311, H301+H311+H331, H301
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko | |
Ubunzima beMolekyuli | 760.81 | - | |
pKa (Kuxelwe kwangaphambili) | 9.39±0.10 | Owona bushushu be-Acidic Temp: 25 °C |
Uncumo lweCanonical
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
Isomeric UNCUMA
C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](OC)[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/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
Isitshixo se-InchI
UVUOJOLPNDCIHL-XKZJCBTISA-N
1 Elinye iGama lesi Sithombo
Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphoramidite] (9CI)
ISpectra ekhoyo
IMisa
Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo oluNxulumeneyo
Ipropati | Ixabiso | Imeko | Umthombo |
I-Bioconcentration Factor | 254 | pH 1; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2050 | pH 2; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 15400 | pH 3; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 46000 | pH 4; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 57500 | pH 5; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 58900 | pH 6; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 58900 | pH 7; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 56800 | pH 8; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 42300 | pH 9; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 12200 | pH 10; Ubushushu: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Imeko | Umthombo |
Koc | 389 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 3140 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 23600 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 70500 | pH 4; Ubushushu: 25 °C | (1) ACD |
Koc | 88100 | pH 5; Ubushushu: 25 °C | (1) ACD |
Koc | 90300 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 90200 | pH 7; Ubushushu: 25 °C | (1) ACD |
Koc | 87100 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 64800 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 18700 | pH 10; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
logD | 4.21 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | 5.12 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | 6.00 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | 6.47 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | 6.57 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | 6.58 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | 6.58 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | 6.56 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | 6.44 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | 5.90 | pH 10; Ubushushu: 25 °C | (1) ACD |
logP | 6.581±0.646 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 8.4 x 10-5 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 0.019 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 2.4 x 10-3 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 3.1 x 10-4 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 1.1 x 10-4 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 8.4 x 10-5 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 8.4 x 10-5 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 8.4 x 10-5 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 8.4 x 10-5 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 1.1 x 10-4 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 4.0 x 10-4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 8.4 x 10-5 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.1 x 10-7 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.5 x 10-5 mol / L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 3.1 x 10-6 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 4.1 x 10-7 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.4 x 10-7 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Ukunyibilika kweMolar | 1.5 x 10-7 mol/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 5.2 x 10-7 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.1 x 10-7 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 760.81 | ||
pKa | 9.39±0.10 | Owona bushushu be-Acidic Temp: 25 °C | (1) ACD |
pKa | 3.45±0.70 | Eyona Tempile iSiseko: 25 °C | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Imeko | Umthombo |
Iibhondi eziGuquguqukayo ngokukhululekileyo | 18 | (1) ACD | |
H Abamkeli | 13 | (1) ACD | |
H Abaxhasi | 1 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 14 | (1) ACD | |
logP | 6.581±0.646 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 760.81 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ipropati | Ixabiso | Umthombo wemeko |
Indawo yePolar Surface | 155 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1 H NMR
13 C NMR
Ikhowudi | Ingxelo yobungozi | Umthombo |
H335 | Inokubangela ukucaphuka kokuphefumla | Ingcaphephe iCandwe |
H331 | Ityhefu xa utsaliwe | Ingcaphephe iCandwe |
H319 | Ibangela ukucaphuka kwamehlo okunzulu | Ingcaphephe iCandwe |
H315 | Ibangela ukucaphuka kwesikhumba | Ingcaphephe iCandwe |
Ikhowudi | Ingxelo yobungozi | Umthombo |
H311 | Ityhefu xa udibana nolusu | Ingcaphephe iCandwe |
H301+H311+H331 | Ityhefu xa iginyiwe, xa idibene nolusu okanye xa itsaliwe | Ingcaphephe iCandwe |
H301 | Ityhefu xa iginyiwe | Ingcaphephe iCandwe |