| Specification: |
The systematic name about this chemical is 5'-O-[bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-2'-fluorouridine. The CAS register number of 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-2'-fluorouridine is 146954-74-7. It also can be called as 1-(5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-3-fluoro-4-hydroxytetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione. Its molecular formula is C30H29FN2O7 and molecular weight is 548.56.
Physical properties about 5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-2'-deoxy-2'-fluorouridine are: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.76; (5)ACD/BCF (pH 5.5): 2762.84; (6)ACD/BCF (pH 7.4): 2330.23; (7)ACD/KOC (pH 5.5): 10107.05; (8)ACD/KOC (pH 7.4): 8524.46; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 86.77Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 143.86 cm3; (15)Molar Volume: 395.8 cm3; (16)Surface Tension: 63.5 dyne/cm; (17)Density: 1.38 g/cm3.
People can use the following data to convert to the molecule structure.
1.SMILES: O=C/1NC(=O)N(\C=C\1)[C@@H]2O[C@@H]([C@@H](O)[C@H]2F)COC(c3ccccc3)(c4ccc(OC)cc4)c5ccc(OC)cc5
2.InChI: InChI=1/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
3.InChIKey: CSSFZSSZXOCCJB-YULOIDQLBN
4.Std. 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
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