118 Re36H44N2O8Si Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-[(1,1- dimethylethyl)dimethylsilyl]- (9CI, ACI)
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 | Owona bushushu be-Acidic Temp: 25 °C |
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 ekhoyo
1H NMR
13C NMR
Hetero NMR
IMisa
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 | Owona bushushu be-Acidic 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 ekhoyo
1H NMR
13C NMR