64296-25-9 (氨基甲酸,N-磺基-,[(3aS,4R,10aS)-2,6-二氨基-3a,4,9,10-四氢-10,10-二羟基-1H,8H-吡咯并[1,2-c]嘌呤-4-基]甲酯,Carbamic acid,N-sulfo-,[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methylester)

CAS号:
64296-25-9
中文名称:
氨基甲酸,N-磺基-,[(3aS,4R,10aS)-2,6-二氨基-3a,4,9,10-四氢-10,10-二羟基-1H,8H-吡咯并[1,2-c]嘌呤-4-基]甲酯
英文名称:
Carbamic acid,N-sulfo-,[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methylester
分子式:
C10H17N7O7S
分子量:
379.349679708481

氨基甲酸,N-磺基-,[(3aS,4R,10aS)-2,6-二氨基-3a,4,9,10-四氢-10,10-二羟基-1H,8H-吡咯并[1,2-c]嘌呤-4-基]甲酯(64296-25-9)名称与标识符

名称

英文别名:
Carbamic acid,N-sulfo-,[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methylester;({[(3aS,4R,10aS)-2,6-Diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro -1H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid;Carbamic acid,N-sulfo-,[(3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo[1,2-c]purin-4-yl]methyle;gonyautoxin V;GONYAUTOXIN-5 (AKAB1);UNII-3833H3TURF;DTXSID60214520;Carbamic acid, sulfo-, C-((2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester, (3aS-(3aalpha,4alpha,10aR*))-;Q27256732;3833H3TURF;Carbamic acid, sulfo-, C-(((3aS,4R,10aS)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-1H,8H-pyrrolo(1,2-c)purin-4-yl)methyl) ester;122139-78-0;Gonyautoxin 5;64296-25-9;gonyautoxin-5;({[(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3h,8h-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)sulfamic acid;GTX5;C20018;((3AS,4R,10AS)-2,6-DIAMINO-10,10-DIHYDROXY-3A,4,8,9-TETRAHYDRO-3H-PYRROLO(1,2-C)PURIN-4-YL)METHOXYCARBONYLSULFAMIC ACID;Gonyautoxin-V;[(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid;CHEMBL496271;CHEBI:138870;NS00006220;(2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methoxycarbonylsulfamic acid;Toxin B1;1ST001308-(50-60)uM-0.5mL;Gonyautoxin 5 Solution in Water, (50-60)umol/L;

标识符

InChIKey:
JKKCSFJSULZNDN-HGRQIUPRSA-N
Inchi:
1S/C10H17N7O7S/c11-6-14-5-4(3-24-8(18)16-25(21,22)23)13-7(12)17-2-1-9(19,20)10(5,17)15-6/h4-5,19-20H,1-3H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)/t4-,5-,10-/m0/s1
SMILES:
S(NC(=O)OC[C@H]1[C@H]2[C@]3(C(CCN3C(N)=N1)(O)O)NC(N)=N2)(=O)(=O)O

氨基甲酸,N-磺基-,[(3aS,4R,10aS)-2,6-二氨基-3a,4,9,10-四氢-10,10-二羟基-1H,8H-吡咯并[1,2-c]嘌呤-4-基]甲酯(64296-25-9)物化性质

计算特性

  • 精确分子量 : 379.09101708g/mol
  • 氢键供体数量 : 7
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 4
  • 同位素质量 : 379.09101708g/mol
  • 重原子数量 : 25
  • 复杂度 : 760
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : -5.1
  • 拓扑分子极性表面积 : 234Ų

氨基甲酸,N-磺基-,[(3aS,4R,10aS)-2,6-二氨基-3a,4,9,10-四氢-10,10-二羟基-1H,8H-吡咯并[1,2-c]嘌呤-4-基]甲酯(64296-25-9)推荐厂家 更多厂家(6)