Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-oxo-2-phenylethyl)-, (5a)- (9CI) | 102424-35-1
Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-oxo-2-phenylethyl)-, (5a)- (9CI)
102424-35-1
C24H23NO5
405.44312
名称和标识符
InChIKey |
RPCLCXHTAXNHEO-QLBRKBSLSA-N |
Inchi |
InChI=1S/C24H23NO5/c26-16-7-6-15-12-19-24(29)9-8-17(27)22-23(24,20(15)21(16)30-22)10-11-25(19)13-18(28)14-4-2-1-3-5-14/h1-7,19,22,26,29H,8-13H2/t19-,22+,23+,24-/m1/s1 |
SMILES |
C1C=CC(C(CN2CC[C@]34[C@@H]5C(CC[C@@]3(O)[C@H]2CC2=C4C(O5)=C(C=C2)O)=O)=O)=CC=1 |
别名信息
- 英文别名 -
- Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-oxo-2-phenylethyl)-, (5a)- (9CI)
- (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-phenacyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
- 7,8-Dihydro-14-hydroxy-N-phenacylnormorphinone
- Normorphinone,7,8-dihydro-14-hydroxy-N-phenacyl- (7CI)
- 102424-35-1
- RAM-385
- 3,14-Dihydroxy-4,5-alpha-epoxy-17-phenacylmorphinan-6-one
- DTXSID90145070
- Morphinan-6-one, 3,14-dihydroxy-4,5-alpha-epoxy-17-phenacyl-
- Normorphinone, 7,8-dihydro-14-hydroxy-N-phenacyl-
物化性质
计算特性
精确分子量 |
405.157623g/mol |
氢键供体数量 |
2 |
氢键受体数量 |
6 |
可旋转化学键数量 |
3 |
同位素质量 |
405.157623g/mol |
重原子数量 |
30 |
复杂度 |
750 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
4 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2.9 |
拓扑分子极性表面积 |
87.1Ų |
分子量 |
405.4g/mol |