38665-10-0 (缬草胺A,Validoxylamine A)

CAS号:
38665-10-0
中文名称:
缬草胺A
英文名称:
Validoxylamine A
分子式:
C14H25NO8
分子量:
335.350205183029

缬草胺A(38665-10-0)名称与标识符

名称

英文别名:
Validoxylamine A;4-(Hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexy l]amino}-4-cyclohexene-1,2,3-triol;4-(Hydroxymethyl)-6-((2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl)amino)-4-cyclohexene-1,2,3-triol;NCI60_008244;FT-0630904;82309-75-9;CHEMBL2006788;SCHEMBL5160235;DTXSID00959504;4-(hydroxymethyl)-6-[[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol;4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol;NSC626095;NSC-626095;(+)-Validoxylamine-A;(1s,2s,3r,6s)-4-(Hydroxymethyl)-6-{[(1s,2s,3s,4r,5r)-2,3,4-Trihydroxy-5-(Hydroxymethyl)cyclohexyl]amino}cyclohex-4-Ene-1,2,3-Triol;CHEMBL1236649;vinylpelargonate;Q27225311;C17700;CHEBI:131941;VALIDOXYLAMINE;(1S,2S,3R,6S)-4-(hydroxymethyl)-6-[[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol;D-chiro-Inositol, 1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))-;(1S,2S,3R,6S)-4-(hydroxymethyl)-6-((1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexylamino)cyclohex-4-ene-1,2,3-triol;(+)-Validoxylamine A;D-chiro-Inositol, 5-(hydroxymethyl)-1,5,6-trideoxy-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1-alpha,4-alpha,5-beta,6-alpha))-;38665-10-0;1,5,6-Trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol; (+)-Validoxylamine A;;

标识符

InChIKey:
YCJYNBLLJHFIIW-MBABXGOBSA-N
Inchi:
1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
SMILES:
O[C@@H]1[C@H]([C@@H]([C@@H](CO)C[C@@H]1N[C@H]1C=C(CO)[C@H]([C@@H]([C@H]1O)O)O)O)O

缬草胺A(38665-10-0)物化性质

实验特性

  • PSA : 173.87
  • 沸点 : 602.6±55.0 °C at 760 mmHg
  • 蒸气压 : 0.0±3.9 mmHg at 25°C
  • 闪点 : 222.6±22.1 °C
  • 密度 : 1.6±0.1 g/cm3

计算特性

  • 精确分子量 : 335.15805
  • 氢键供体数量 : 9
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 335.15801676g/mol
  • 重原子数量 : 23
  • 复杂度 : 433
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 9
  • 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) : -4.1
  • 拓扑分子极性表面积 : 174Ų

缬草胺A(38665-10-0)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
询单

缬草胺A(38665-10-0)相关文献

缬草胺A(38665-10-0)参考资料

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