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

umkhiqizo

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

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 560.60 -
Ukuminyana (Kubikezelwe) 1.35±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr
pKa (Kubikezelwe) 9.39±0.10 Izinga Le-Acidic Elikhulu: 25 °C

Amanye Amagama Nezihlonzi

I-Canonical AMAMOTHEKA 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
I-Isomeric SMILES 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
I-InChI
I-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
Ukhiye we-InchI
I-MFDHAVFJDSRPKC-YXINZVNLSA-N
2 Amanye Amagama Alesi Sitho
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyluridine (ACI);5′-O-(4,4′-Dimethoxytrityl)-2′-O-methyluridine

I-Spectra yokuhlola

I-Spectra iyatholakala
1H NMR
IMisa

Izakhiwo Ezibikezelwe

Izakhiwo ezitholakalayo
I-Biological
Amakhemikhali
Ukuminyana
I-Lipinski
Okuhlobene Nesakhiwo

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 1240 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1240 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1240 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1240 pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1230 pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1190 pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 861 pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 238 pH 10;Izinga lokushisa: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Amakhemikhali

Impahla Inani Isimo Umthombo
Koc 5690 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
Koc 5690 pH 2;Izinga lokushisa: 25 °C (1) ACD
Koc 5690 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
Koc 5690 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
Koc 5690 pH 5;Izinga lokushisa: 25 °C (1) ACD
Koc 5690 pH 6;Izinga lokushisa: 25 °C (1) ACD
Koc 5670 pH 7;Izinga lokushisa: 25 °C (1) ACD
Koc 5450 pH 8;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 3960 pH 9;Izinga lokushisa: 25 °C (1) ACD
Koc 1100 pH 10;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 i-pH 1;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 pH 2;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 i-pH 3;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 i-pH 4;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 pH 5;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 pH 6;Izinga lokushisa: 25 °C (1) ACD
logD 4.37 pH 7;Izinga lokushisa: 25 °C (1) ACD
logD 4.35 pH 8;Izinga lokushisa: 25 °C (1) ACD
logD 4.21 pH 9;Izinga lokushisa: 25 °C (1) ACD
logD 3.66 pH 10;Izinga lokushisa: 25 °C (1) ACD
logP 4.372±0.582 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 3.7 x 10-4 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L pH 6;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.8 x 10-4 g/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.3 x 10-4 g/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.9 x 10-3 g/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.7 x 10-4 g/L Amanzi Angakhiqiziwe pH 6.99;Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 6.6 x 10-7 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L i-pH 1;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L pH 2;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L i-pH 3;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L i-pH 4;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L pH 5;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L pH 6;Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 6.6 x 10-7 mol/L pH 7;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.8 x 10-7 mol/L pH 8;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 9.4 x 10-7 mol/L pH 9;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 3.4 x 10-6 mol/L pH 10;Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 6.6 x 10-7 mol/L Amanzi Angakhiqiziwe pH 6.99;Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 560.60    
pKa 9.39±0.10 Izinga Le-Acidic Elikhulu: 25 °C (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Ukuminyana

Impahla Inani Isimo Umthombo
Ukuminyana 1.35±0.1 g/cm3 Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 412.9±5.0 cm3/mol Izinga lokushisa: 20 °C;Cindezela: 760 Torr (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Lipinski

Impahla Inani Isimo Umthombo
Amabhondi Ashintshashintshayo Ngokukhululekile 11   (1) ACD
H Abamukelayo 10   (1) ACD
H Abaxhasi 2   (1) ACD
H Isamba Somnikeli/Umamukeli 12   (1) ACD
logP 4.372±0.582 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 560.60    

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Okuhlobene Nesakhiwo

Impahla Inani

Isimo

Umthombo
Indawo ye-Polar Surface 116 A2 (1) ACD

(1) Kubalwe kusetshenziswa i-Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

I-Spectra ebikezelwe

I-Spectra iyatholakala
1H NMR
13C NMR


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