118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)

umkhiqizo

118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)

Ulwazi Oluyisisekelo:


Imininingwane Yomkhiqizo

Omaka bomkhiqizo

Izici ezingokomzimba

Izici Zomzimba Eziyinhloko Inani Isimo
Isisindo samangqamuzana 660.83 -
Ukuminyana (Kubikezelwe) 1.24±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)C2O[Si](C)(C)C(C)(C)C
I-Isomeric SMILES
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[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/C36H44N2O8Si/c1-35(2,3)47(6,7)46-32-31(40)29(45-33(32)38-22-21-30(39)37-34( 38)41)23-44-36(24-11-9-8-10-12-24,25-13- 17-27(42-4)18-14-25)26-15-19-28( 43-5)20-16-26/h8-22,29,31-33,40H,23H2,1-7H3,(H,37,39,41)/t29-,31-,32-,33-/ m1/s1
Ukhiye we-InchI
KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Amanye Amagama Alesi Sitho
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI); 2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytrityl)uridine

I-Spectra yokuhlola

I-Spectra iyatholakala
1H NMR
13C NMR
I-Hetero NMR
IMisa

Izakhiwo Ezibikezelwe

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

I-Biological

Impahla Inani Isimo Umthombo
I-Bioconcentration Factor 2.21 x 105 pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.20 x 105 pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 2.12 x 105 pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 1.54 x 105 pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Bioconcentration Factor 42500 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 2.33 x 105 pH 1; Izinga lokushisa: 25 °C (1) ACD
Koc 2.33 x 105 pH 2; Izinga lokushisa: 25 °C (1) ACD
Koc 2.33 x 105 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
Koc 2.33 x 105 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
Koc 2.33 x 105 pH 5; Izinga lokushisa: 25 °C (1) ACD
Koc 2.33 x 105 pH 6; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
Koc 2.32 x 105 pH 7; Izinga lokushisa: 25 °C (1) ACD
Koc 2.23 x 105 pH 8; Izinga lokushisa: 25 °C (1) ACD
Koc 1.62 x 105 pH 9; Izinga lokushisa: 25 °C (1) ACD
Koc 44800 pH 10; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 pH 1; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 pH 2; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 i-pH 3; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 i-pH 4; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 pH 5; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 pH 6; Izinga lokushisa: 25 °C (1) ACD
logD 7.33 pH 7; Izinga lokushisa: 25 °C (1) ACD
logD 7.32 pH 8; Izinga lokushisa: 25 °C (1) ACD
logD 7.18 pH 9; Izinga lokushisa: 25 °C (1) ACD
logD 6.62 pH 10; Izinga lokushisa: 25 °C (1) ACD
logP 7.334±0.643 Izinga lokushisa: 25 °C (1) ACD
I-Mass Intrinsic Solubility 3.5 x 10-5 g/L Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.6 x 10-5 g/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 5.0 x 10-5 g/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 1.9 x 10-4 g/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Mass Solubility 3.5 x 10-5 g/L Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C (1) ACD
I-Molar Intrinsic Solubility 5.3 x 10-8 mol/L Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L pH 1; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L pH 2; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L i-pH 3; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L i-pH 4; Izinga lokushisa: 25 °C (1) ACD

 

Impahla Inani Isimo Umthombo
I-Molar Solubility 5.3 x 10-8 mol/L pH 5; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L pH 6; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L pH 7; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.5 x 10-8 mol/L pH 8; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 7.6 x 10-8 mol/L pH 9; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 2.8 x 10-7 mol/L pH 10; Izinga lokushisa: 25 °C (1) ACD
I-Molar Solubility 5.3 x 10-8 mol/L Amanzi Angenabuffered pH 7.00; Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 660.83    
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 1.24±0.1 g/cm3 Izinga lokushisa: 20 °C; Cindezela: 760 Torr (1) ACD
Ivolumu ye-Molar 528.8±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 13   (1) ACD
H Abamukelayo 10   (1) ACD
H Abanikeli 2   (1) ACD
H Isamba Somnikeli/Umamukeli 12   (1) ACD
logP 7.334±0.643 Izinga lokushisa: 25 °C (1) ACD
Isisindo samangqamuzana 660.83    

(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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