C30H29FN2O7 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′- fluoro- (9CI, ACI)
Sifa Muhimu za Kimwili | Thamani | Hali |
Uzito wa Masi | 548.56 | - |
Kiwango Myeyuko (Majaribio) | 118-120 °C | - |
Msongamano (Uliotabiriwa) | 1.38±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr |
pKa (Iliyotabiriwa) | 9.39±0.10 | Halijoto ya Asidi Zaidi: 25 °C |
TABASAMU za Kisheria 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 SMILES 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
Ufunguo wa InChI
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Jina Lingine la Dawa hii
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-2′-fluorouridine (ACI)
Mali zinazopatikana
Joto
Joto
Mali | Thamani | Hali | Chanzo |
Kiwango Myeyuko | 118-120 °C | (1) CAS |
(1) Penjarla, Srishylam; Nucleosides, Nucleotides & Nucleic Acids, (2018), 37(4), 232-247, CAplus
Spectra inapatikana
1H NMR
13C NMR
Mali zinazopatikana |
Kibiolojia |
Kemikali |
Msongamano |
Lipinski |
Kuhusiana na Muundo |
Kibiolojia
Mali | Thamani | Hali | Chanzo |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 1; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 2; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 3; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 4; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 5; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3580 | pH 6; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3570 | pH 7; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 3430 | pH 8; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 2500 | pH 9; Joto: 25 °C | (1) ACD |
Kipengele cha Mkusanyiko wa Kibiolojia | 689 | pH 10; Joto: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kemikali
Mali | Thamani | Hali | Chanzo |
Koc | 12200 | pH 1; Joto: 25 °C | (1) ACD |
Koc | 12200 | pH 2; Joto: 25 °C | (1) ACD |
Koc | 12200 | pH 3; Joto: 25 °C | (1) ACD |
Koc | 12200 | pH 4; Joto: 25 °C | (1) ACD |
Koc | 12200 | pH 5; Joto: 25 °C | (1) ACD |
Koc | 12200 | pH 6; Joto: 25 °C | (1) ACD |
Koc | 12100 | pH 7; Joto: 25 °C | (1) ACD |
Koc | 11700 | pH 8; Joto: 25 °C | (1) ACD |
Koc | 8480 | pH 9; Joto: 25 °C | (1) ACD |
Koc | 2340 | pH 10; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 1; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 2; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 3; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 4; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 5; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 6; Joto: 25 °C | (1) ACD |
logD | 4.98 | pH 7; Joto: 25 °C | (1) ACD |
logD | 4.96 | pH 8; Joto: 25 °C | (1) ACD |
logD | 4.82 | pH 9; Joto: 25 °C | (1) ACD |
logD | 4.26 | pH 10; Joto: 25 °C | (1) ACD |
logP | 4.979±0.563 | Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Misa | 9.9 x 10-5 g/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 1.4 x 10-4 g/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Misa | 5.0 x 10-4 g/L | pH 10; Joto: 25 °C | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa Misa | 9.9 x 10-5 g/L | Maji yasiyo na buffered pH 7.00; Joto: 25 °C | (1) ACD |
Umumunyifu wa Ndani wa Molar | 1.8 x 10-7 mol/L | Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 1; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 2; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 3; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 4; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 5; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 6; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 7; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | pH 8; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 2.5 x 10-7 mol/L | pH 9; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 9.2 x 10-7 mol/L | pH 10; Joto: 25 °C | (1) ACD |
Umumunyifu wa Molar | 1.8 x 10-7 mol/L | Maji yasiyo na buffered pH 7.00; Joto: 25 °C | (1) ACD |
Uzito wa Masi | 548.56 | ||
pKa | 9.39±0.10 | Halijoto ya Asidi Zaidi: 25 °C | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Msongamano
Mali | Thamani | Hali | Chanzo |
Msongamano | 1.38±0.1 g/cm3 | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha Molar | 395.8±5.0 cm3/mol | Joto: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vinavyoweza kuzungushwa kwa Uhuru | 10 | (1) ACD | |
H Wakubali | 9 | (1) ACD | |
H Wafadhili | 2 | (1) ACD | |
H Jumla ya Mfadhili/Mpokeaji | 11 | (1) ACD | |
logP | 4.979±0.563 | Joto: 25 °C | (1) ACD |
Uzito wa Masi | 548.56 |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Kuhusiana na Muundo
Mali | Thamani | Hali | Chanzo |
Eneo la Uso wa Polar | 107 A2 | (1) ACD |
(1) Imekokotolewa kwa kutumia Advanced Kemia Development (ACD/Labs) Programu V11.02 (© 1994-2023 ACD/Labs)
Spectra inapatikana
1H NMR
13C NMR