2-Naphthalenecarboxamide,N-[(1aS,4E,9S,10S,10aR,18R,23S)-13-chloro-2,3,6,7-tetradehydro-10-[(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)oxy]-1a,9-dihydro-20-oxo-23-[[2,4,6-trideoxy-4-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-9,5-(epoxy[5,2]pyridinopr
- 中文别名:3(2H)-苯并呋喃酮,2-甲氧基-
- 中文释义:3(2H)-苯并呋喃酮,2-甲氧基-
- 英文别名:Kedarcidin chromophore;
2-Naphthalenecarboxamide,N-[(1aS,4E,9S,10S,10aR,18R,23S)-13-chloro-2,3,6,7-tetradehydro-10-[(2,6-dideoxy-3-C-methyl-a-L-ribo-hexopyranosyl)oxy]-1a,9-dihydro-20-oxo-23-[[2,4,6-trideoxy-4-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-9,5-(epoxy[5,2]pyridinopr
- CAS No.:143591-04-2
- 分子式:C53H60ClN3O16
- 分子量:0
- 精确分子量:1029.37000
- PSA:242.31000
- InChI:The Key: GFTRTMUGNRZABD-UVWKMGTLSA-N
- 分子结构式:
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):3.6
2.氢键供体数量:5
3.氢键受体数量:18
4.可旋转化学键数量:11
5.互变异构体数量:7
6.拓扑分子极性表面积:239
7.重原子数量:73
8.表面电荷:0
9.复杂度:2240
10.同位素原子数量:0
11.确定原子立构中心数量:14
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1