C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- imethylethyl)phosphor amidite] (ACI)

imveliso

C43H55N4O10P Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methox yethyl)- 5-methyl-, 3′ – [2-cyanoethyl N,N-bis(1- imethylethyl)phosphor amidite] (ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iinkcukacha zeZiyobisi

Inombolo yoBhaliso yeCAS

163878-63-5

H302

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 818.89 -
pKa (Kuxelwe kwangaphambili) 9.55±0.10 Owona bushushu be-Acidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical

N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)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](OCCOC)[C@@ H](O1)N2C(=O)NC(=O)C(C)=C2)(C3=CC=C(OC)C=C3)(C4=CC =C(OC)C=C4)C5= CC=CC=C5

InChi

InChI= 1S/C43H55N4O10P/c1-29(2)47(30(3)4)58(55-24-12-23-44)57-38-37(56-41(39(38)53-26- 25-50-6)46-27-31(5)40(48)45-42(46)49)2 8-54-43(32-13-10-9-11-14-32,33-15) -19-35(51-7)20-16-33)34-17-21-36(52-8)22-18-34/h9-11,13-22,27,29-30,37-39 ,41H,12,24-26,28H2, 1-8H3,(H,45,48,49)/t37-,38-,39-,41-,58?/m1/s1

Isitshixo se-InchI

YFRRKZDUDXHJNC-KZQAAKLLSA-N

17 Amanye Amagama ale Nxibelelwano

Uridine, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -O-(2-methoxyethyl)- 5-methyl-, 3′ - [2-cyanoethyl bis(1-methylethyl)phosphor

amidite] (9CI); 10: PN: US20030212017 IPHEPHA: I-18 ibango le-RNA; 11: PN: US20030211606 IPHEPHA: I-18 ibango le-RNA; 13: PN: US20040

005569 IPHEPHA: 21 ibango leRNA; 13: PN: US20040006030 IPHEPHA: 22 ibango leRNA; 13: PN: US20040014048 IPHEPHA: I-19 ibango le-RNA; 13: PN: US20040014049 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20030198965 IPHEPHA: I-19 ibango iRNA; 14: PN: US20040005565 IPHEPHA: 17- 22 ibango le-RNA; 14: PN: US20040005570 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20040014047 IPHEPHA: I-19 ibango le-RNA; 14: PN: US20040

014699 IPHEPHA: I-19 ibango le-RNA; 15: PN: US20040014050 IPHEPHA: I-19 ibango le-RNA; 15: PN: US20040014051 IPHEPHA: I-21 ibango le-RNA; 15:

PN: WO03106645 IPHEPHA: 69 ibango le-RNA; 16: PN: US20040006029 IPHEPHA: 22 ibango leRNA; 87: PN: US20040005707 IPHEPHA: I-19 ibango le-RNA

ISpectra yoMfuniselo

ISpectra ekhoyo
1 H NMR
13 C NMR
Hetero NMR

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 348 pH 1; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2810 pH 2; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 21100 pH 3; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 63100 pH 4; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 78800 pH 5; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 80800 pH 6; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 80800 pH 7; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 78800 pH 8; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 63400 pH 9; Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 21800 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 487 pH 1; Ubushushu: 25 °C (1) ACD
Koc 3940 pH 2; Ubushushu: 25 °C (1) ACD
Koc 29600 pH 3; Ubushushu: 25 °C (1) ACD
Koc 88400 pH 4; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 1.10 x 105 pH 5; Ubushushu: 25 °C (1) ACD
Koc 1.13 x 105 pH 6; Ubushushu: 25 °C (1) ACD
Koc 1.13 x 105 pH 7; Ubushushu: 25 °C (1) ACD
Koc 1.10 x 105 pH 8; Ubushushu: 25 °C (1) ACD
Koc 88800 pH 9; Ubushushu: 25 °C (1) ACD
Koc 30600 pH 10; Ubushushu: 25 °C (1) ACD
logD 4.39 pH 1; Ubushushu: 25 °C (1) ACD
logD 5.30 pH 2; Ubushushu: 25 °C (1) ACD
logD 6.18 pH 3; Ubushushu: 25 °C (1) ACD
logD 6.65 pH 4; Ubushushu: 25 °C (1) ACD
logD 6.75 pH 5; Ubushushu: 25 °C (1) ACD
logD 6.76 pH 6; Ubushushu: 25 °C (1) ACD
logD 6.76 pH 7; Ubushushu: 25 °C (1) ACD
logD 6.75 pH 8; Ubushushu: 25 °C (1) ACD
logD 6.65 pH 9; Ubushushu: 25 °C (1) ACD
logD 6.19 pH 10; Ubushushu: 25 °C (1) ACD
logP 6.761±0.669 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 2.0 x 10-4 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 0.046 g/L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.7 x 10-3 g/L pH 2; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 7.6 x 10-4 g/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.5 x 10-4 g/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.0 x 10-4 g/L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.0 x 10-4 g/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.0 x 10-4 g/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.0 x 10-4 g/L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.5 x 10-4 g/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 7.4 x 10-4 g/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 2.0 x 10-4 g/L Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 2.4 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.6 x 10-5 mol / L pH 1; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.0 x 10-6 mol/L pH 2; Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 9.3 x 10-7 mol/L pH 3; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.1 x 10-7 mol/L pH 4; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.5 x 10-7 mol / L pH 5; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.4 x 10-7 mol/L pH 6; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.4 x 10-7 mol/L pH 7; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.5 x 10-7 mol / L pH 8; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.1 x 10-7 mol/L pH 9; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 9.0 x 10-7 mol/L pH 10; Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.4 x 10-7 mol/L Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 818.89    
pKa 9.55±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)

Lipinski

Ipropati Ixabiso Imeko Umthombo
Iibhondi eziGuquguqukayo ngokukhululekileyo 21   (1) ACD
H Abamkeli 14   (1) ACD
H Abaxhasi 1   (1) ACD
H Umnikeli/uMamkeli Isambuku 15   (1) ACD
logP 6.761±0.669 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 818.89    

(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso Umthombo wemeko
Indawo yePolar Surface 164 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

Umthombo weNgxelo yoBubungozi beKhowudi
H302 Kuyingozi ukuba iginyiwe UHlelo lwe-Arhente yeMichiza yaseYurophu (ECHA) kunye nokuFakwa kweLebhile

I-Inventory - Ukuhlelwa kokwaziswa kunye nokuleyibheli-izaziso eziqhelekileyo, i-Arhente yeMichiza yaseYurophu (ECHA)

UHlelo kunye noLuhlu lweZintlu zokuLayibhile - Ulwahlulo olwaziswayo kunye nokuleyibhelishwa - ezona zaziso zinobuzaza


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