C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)

imveliso

C31H32N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl- (9C I, ACI)

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 560.60 -
Ukuxinana (Kuqikelelwe) 1.35±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr
pKa (Kuxelwe kwangaphambili) 9.39±0.10 Eyona Temp iAcidic Temp: 25 °C

Amanye Amagama kunye neZazi

Uncumo lweCanonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2OC
Isomeric Uncumo C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)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/C31H32N2O8/c1-37-23-13-9-21(10-14-23)31(20-7-5-4-6-8-20,22-11-15-24(38- 2)16-12-22)40-19-25-27(35)28(39-3)29(41-25)
33-18-17-26(34)32-30(33)36/h4-18,25,27-29,35H,19H2,1-3H3,(H,32,34,36)/t25-,27 -,28-,29-/m1/s1
Isitshixo se-InchI
MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Amanye Amagama ale nto
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI);5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine

ISpectra yoMfuniselo

ISpectra ekhoyo
1H NMR
IMisa

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 1240 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1230 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1190 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 861 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 238 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 5690 pH 1;Ubushushu: 25 °C (1) ACD
Koc 5690 pH 2;Ubushushu: 25 °C (1) ACD
Koc 5690 pH 3;Ubushushu: 25 °C (1) ACD
Koc 5690 pH 4;Ubushushu: 25 °C (1) ACD
Koc 5690 pH 5;Ubushushu: 25 °C (1) ACD
Koc 5690 pH 6;Ubushushu: 25 °C (1) ACD
Koc 5670 pH 7;Ubushushu: 25 °C (1) ACD
Koc 5450 pH 8;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 3960 pH 9;Ubushushu: 25 °C (1) ACD
Koc 1100 pH 10;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 1;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 2;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 3;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 4;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 5;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 6;Ubushushu: 25 °C (1) ACD
logD 4.37 pH 7;Ubushushu: 25 °C (1) ACD
logD 4.35 pH 8;Ubushushu: 25 °C (1) ACD
logD 4.21 pH 9;Ubushushu: 25 °C (1) ACD
logD 3.66 pH 10;Ubushushu: 25 °C (1) ACD
logP 4.372±0.582 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 3.7 x 10-4 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.8 x 10-4 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.3 x 10-4 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.9 x 10-3 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.7 x 10-4 g/L Amanzi angaphazanyiswanga pH 6.99;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 6.6 x 10-7 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 6;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 6.6 x 10-7 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.8 x 10-7 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 9.4 x 10-7 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 3.4 x 10-6 mol / L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 6.6 x 10-7 mol/L Amanzi angaphazanyiswanga pH 6.99;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 560.60    
pKa 9.39±0.10 Eyona Temp iAcidic Temp: 25 °C (1) ACD

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

Ukuxinana

Ipropati Ixabiso Imeko Umthombo
Ukuxinana 1.35±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 412.9±5.0 cm3/mol Ubushushu: 20 °C;Cinezela: 760 Torr (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 11   (1) ACD
H Abamkeli 10   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 12   (1) ACD
logP 4.372±0.582 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 560.60    

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

Ulwakhiwo oluNxulumeneyo

Ipropati Ixabiso

Imeko

Umthombo
Indawo yePolar Surface 116 A2 (1) ACD

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

ISpectra eqikelelweyo

ISpectra ekhoyo
1H NMR
13C NMR


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