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

imveliso

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

Ulwazi olusisiseko:


Iinkcukacha zeMveliso

Iithegi zeMveliso

Iimpawu ezibonakalayo

IiPropati zoMzimba eziPhambili Ixabiso Imeko
Ubunzima beMolekyuli 660.83 -
Ukuxinana (Kuqikelelwe) 1.24±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)C2O[Si](C)(C)C(C)(C)C
Isomeric UNCUMA
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
InChi
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
Isitshixo se-InchI
I-KVHQIELPHWJPSY-WXQJYUTRSA-N
2 Amanye Amagama ale nto
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1-dimethylethyl)dimethylsilyl]uridine (ACI);2′-O-tert-Butyldimethylsilyl-5′-O-(4,4′- dimethoxytrityl)uridine

ISpectra yoMfuniselo

ISpectra ekhoyo
1H NMR
13C NMR
Hetero NMR
IMisa

Iipropati eziqikelelweyo

Iipropati ezikhoyo
Ibhayoloji
Ikhemikhali
Ukuxinana
Lipinski
Ulwakhiwo oluNxulumeneyo

Ibhayoloji

Ipropati Ixabiso Imeko Umthombo
I-Bioconcentration Factor 2.21 x 105 pH 1;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 2;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 3;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 4;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 5;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.21 x 105 pH 6;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.20 x 105 pH 7;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 2.12 x 105 pH 8;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 1.54 x 105 pH 9;Ubushushu: 25 °C (1) ACD
I-Bioconcentration Factor 42500 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 2.33 x 105 pH 1;Ubushushu: 25 °C (1) ACD
Koc 2.33 x 105 pH 2;Ubushushu: 25 °C (1) ACD
Koc 2.33 x 105 pH 3;Ubushushu: 25 °C (1) ACD
Koc 2.33 x 105 pH 4;Ubushushu: 25 °C (1) ACD
Koc 2.33 x 105 pH 5;Ubushushu: 25 °C (1) ACD
Koc 2.33 x 105 pH 6;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Koc 2.32 x 105 pH 7;Ubushushu: 25 °C (1) ACD
Koc 2.23 x 105 pH 8;Ubushushu: 25 °C (1) ACD
Koc 1.62 x 105 pH 9;Ubushushu: 25 °C (1) ACD
Koc 44800 pH 10;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 1;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 2;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 3;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 4;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 5;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 6;Ubushushu: 25 °C (1) ACD
logD 7.33 pH 7;Ubushushu: 25 °C (1) ACD
logD 7.32 pH 8;Ubushushu: 25 °C (1) ACD
logD 7.18 pH 9;Ubushushu: 25 °C (1) ACD
logD 6.62 pH 10;Ubushushu: 25 °C (1) ACD
logP 7.334±0.643 Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMass Intrinsic 3.5 x 10-5 g/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 4;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.6 x 10-5 g/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 5.0 x 10-5 g/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 1.9 x 10-4 g/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kobuninzi 3.5 x 10-5 g/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
I-Molar Intrinsic Solubility 5.3 x 10-8 mol/L Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 1;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 2;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 3;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 4;Ubushushu: 25 °C (1) ACD

 

Ipropati Ixabiso Imeko Umthombo
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 5;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 6;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L pH 7;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.5 x 10-8 mol/L pH 8;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 7.6 x 10-8 mol/L pH 9;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 2.8 x 10-7 mol/L pH 10;Ubushushu: 25 °C (1) ACD
Ukunyibilika kweMolar 5.3 x 10-8 mol/L Amanzi angaphazanyiswanga pH 7.00;Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 660.83    
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 1.24±0.1 g/cm3 Ubushushu: 20 °C;Cinezela: 760 Torr (1) ACD
Umthamo weMolar 528.8±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 13   (1) ACD
H Abamkeli 10   (1) ACD
H Abaxhasi 2   (1) ACD
H Umnikeli/uMamkeli Isambuku 12   (1) ACD
logP 7.334±0.643 Ubushushu: 25 °C (1) ACD
Ubunzima beMolekyuli 660.83    

(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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