uspto-grants-2005_06 · 10.6084/m9.figshare.5104873.v1 · US06903219B2
查看![({2-[({(3S,7R,8R,9S)-7-benzyl-8-(hydroxy)-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl}amino)carbonyl]-4-methoxypyridine-3-yl}oxy)methyl acetate 分子结构式](/api/mol/69801412/svg/360x280.svg)
HCID69801412
({2-[({(3S,7R,8R,9S)-7-benzyl-8-(hydroxy)-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl}amino)carbonyl]-4-methoxypyridine-3-yl}oxy)methyl acetate
[2-[[(3S,7R,8R,9S)-7-benzyl-8-hydroxy-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl]carbamoyl]-4-methoxy-3-pyridinyl]oxymethyl acetate
C25H28N2O10516.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccnc(C(=O)N[C@H]2COC(=O)[C@H](Cc3ccccc3)[C@@H](O)[C@H](C)OC2=O)c1OCOC(C)=O
- InChIKey
- VLVXUNOONAPMRM-NFQYFHPZSA-N
- 分子式
- C25H28N2O10
- 平均分子量
- 516.5 g/mol
- 单同位素质量
- 516.17439509
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 160 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 9
- 重原子
- 37
- 形式电荷
- 0
- 复杂度
- 802
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL6497222VLVXUNOONAPMRM-NFQYFHPZSA-N({2-[({(3S,7R,8R,9S)-7-benzyl-8-(hydroxy)-9-methyl-2,6-dioxo-1,5-dioxonan-3-yl}amino)carbonyl]-4-methoxypyridine-3-yl}oxy)methyl acetate
REACTIONS
