uspto-grants-2004_10 · 10.6084/m9.figshare.5104873.v1 · US06800629B2
查看![methyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate 分子结构式](/api/mol/69759751/svg/360x280.svg)
HCID69759751
methyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate
methyl 4-[(3aR,4R,6R,6aR)-6-[bis(phenylmethoxy)phosphoryloxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxopyrazine-2-carboxylate
C28H31N2O10P586.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1nccn([C@@H]2O[C@H](COP(=O)(OCc3ccccc3)OCc3ccccc3)[C@H]3OC(C)(C)O[C@H]32)c1=O
- InChIKey
- OZZIMYMDKRTHRV-IGGXFAESSA-N
- 分子式
- C28H31N2O10P
- 平均分子量
- 586.5 g/mol
- 单同位素质量
- 586.17163219
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 131 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 12
- 重原子
- 41
- 形式电荷
- 0
- 复杂度
- 1,030
ALIASES
名称与别名
SCHEMBL6380191OZZIMYMDKRTHRV-IGGXFAESSA-Nmethyl 4-[(3aR,4R,6R,6aR)-6-({[bis(benzyloxy)phosphoryl]oxy}methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3-oxo-3,4-dihydro-2-pyrazinecarboxylate
REACTIONS
相关反应