2241019-45-2 ((1-[(3aS,4S,6aR)-5-Fluoro-3a,6a-dihydro-2,2-dimethyl-6-[(triphenylmethoxy)methyl]-4H-cyclopenta-1,3-dioxol-4-yl]-2,4(1H,3H)-pyrimidinedione)

CAS号:
2241019-45-2
英文名称:
1-[(3aS,4S,6aR)-5-Fluoro-3a,6a-dihydro-2,2-dimethyl-6-[(triphenylmethoxy)methyl]-4H-cyclopenta-1,3-dioxol-4-yl]-2,4(1H,3H)-pyrimidinedione
分子式:
C32H29FN2O5
分子量:
540.581472158432

1-[(3aS,4S,6aR)-5-Fluoro-3a,6a-dihydro-2,2-dimethyl-6-[(triphenylmethoxy)methyl]-4H-cyclopenta-1,3-dioxol-4-yl]-2,4(1H,3H)-pyrimidinedione(2241019-45-2)名称与标识符

名称

英文别名:
1-[(3aS,4S,6aR)-5-Fluoro-3a,6a-dihydro-2,2-dimethyl-6-[(triphenylmethoxy)methyl]-4H-cyclopenta-1,3-dioxol-4-yl]-2,4(1H,3H)-pyrimidinedione;

标识符

InChIKey:
NJLDKAJTAKPWFG-NLDZOOGBSA-N
Inchi:
1S/C32H29FN2O5/c1-31(2)39-28-24(26(33)27(29(28)40-31)35-19-18-25(36)34-30(35)37)20-38-32(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-19,27-29H,20H2,1-2H3,(H,34,36,37)/t27-,28-,29+/m1/s1
SMILES:
C1(=O)N([C@H]2[C@@]3([H])[C@@]([H])(C(COC(C4=CC=CC=C4)(C4=CC=CC=C4)C4=CC=CC=C4)=C2F)OC(C)(C)O3)C=CC(=O)N1

1-[(3aS,4S,6aR)-5-Fluoro-3a,6a-dihydro-2,2-dimethyl-6-[(triphenylmethoxy)methyl]-4H-cyclopenta-1,3-dioxol-4-yl]-2,4(1H,3H)-pyrimidinedione(2241019-45-2)物化性质

实验特性

  • 酸度系数(pKa) : 9.39±0.10(Predicted)
  • 密度 : 1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)