英语词典化工词典

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

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:

物化性质

密度:
1.47g/cm3
折射率:
1.67

安全信息

密度:
1.47g/cm3
折射率:
1.67

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

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