C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

imveliso

C40H49N4O9P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-methyl-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

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   Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

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 eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

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)

Ikhemikhali

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 Eyona Temp iAcidic 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)

Lipinski

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)

Ulwakhiwo oluNxulumeneyo

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 eqikelelweyo

ISpectra ekhoyo
1 H NMR
13 C NMR

Iingxelo ze-GHS zobungozi

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 nesikhumba Ingcaphephe iCandwe
H301+H311+H331 Ityhefu xa iginyiwe, xa idibene nolusu okanye xa itsaliwe Ingcaphephe iCandwe
H301 Ityhefu xa iginyiwe Ingcaphephe iCandwe

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