C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
IiPropati zoMzimba eziPhambili | Ixabiso | Imeko |
Ubunzima beMolekyuli | 548.56 | - |
Indawo yokunyibilika (yoMfuniselo) | 118-120 °C | - |
Ukuxinana (Kuqikelelwe) | 1.38±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)C2F
Isomeric Uncumo C(OC[C@H]1O[C@H]([C@H](F)[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/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7 -19,21-10-14-23(38-2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
Isitshixo se-InchI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Elinye iGama lesi Sithombo
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Iipropati ezikhoyo
Thermal
Thermal
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yokunyibilika | 118-120 °C | (1) I-CAS |
(1) ePenjarla, eSrishylam; IiNucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
ISpectra ekhoyo
1H NMR
13C NMR
Iipropati ezikhoyo |
Ibhayoloji |
Ikhemikhali |
Ukuxinana |
Lipinski |
Ulwakhiwo olunxulumeneyo |
Ibhayoloji
Ipropati | Ixabiso | Imeko | Umthombo |
I-Bioconcentration Factor | 3580 | pH 1; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 2; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 3; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 4; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 5; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3580 | pH 6; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3570 | pH 7; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 3430 | pH 8; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 2500 | pH 9; Ubushushu: 25 °C | (1) ACD |
I-Bioconcentration Factor | 689 | 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 | 12200 | pH 1; Ubushushu: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Ubushushu: 25 °C | (1) ACD |
Koc | 12200 | pH 3; Ubushushu: 25 °C | (1) ACD |
Koc | 12200 | pH 4; Ubushushu: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Ubushushu: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Ubushushu: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Ubushushu: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Ubushushu: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Ubushushu: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 3; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 4; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Ubushushu: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Ubushushu: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Ubushushu: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Ubushushu: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Ubushushu: 25 °C | (1) ACD |
logP | 4.979±0.563 | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMass Intrinsic | 9.9 x 10-5 g/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 1.4 x 10-4 g/L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kobuninzi | 5.0 x 10-4 g/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ipropati | Ixabiso | Imeko | Umthombo |
Ukunyibilika kobuninzi | 9.9 x 10-5 g/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
I-Molar Intrinsic Solubility | 1.8 x 10-7 mol/L | Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 1; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 2; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 3; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 4; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 5; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 6; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 7; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | pH 8; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 2.5 x 10-7 mol / L | pH 9; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 9.2 x 10-7 mol/L | pH 10; Ubushushu: 25 °C | (1) ACD |
Ukunyibilika kweMolar | 1.8 x 10-7 mol/L | Amanzi angaphazanyiswanga pH 7.00; Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 548.56 | ||
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 | 1.38±0.1 g/cm3 | Ubushushu: 20 °C; Cinezela: 760 Torr | (1) ACD |
Umthamo weMolar | 395.8±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 | 10 | (1) ACD | |
H Abamkeli | 9 | (1) ACD | |
H Abaxhasi | 2 | (1) ACD | |
H Umnikeli/uMamkeli Isambuku | 11 | (1) ACD | |
logP | 4.979±0.563 | Ubushushu: 25 °C | (1) ACD |
Ubunzima beMolekyuli | 548.56 |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
Ulwakhiwo olunxulumeneyo
Ipropati | Ixabiso | Imeko | Umthombo |
Indawo yePolar Surface | 107 A2 | (1) ACD |
(1) Kubalwa kusetyenziswa uPhuhliso lweKhemistry oluPhezulu (ACD/Labs) iSoftware V11.02 (© 1994-2023 ACD/Labs)
ISpectra ekhoyo
1H NMR
13C NMR