60537-65-7 (膝沟藻毒素 III,Gonyautoxin 3)

膝沟藻毒素 III(60537-65-7)名称与标识符

名称

中文别名:
漆沟藻毒素3;匹莫苯丹;膝沟藻毒素 III;
英文别名:
1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol,2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, 9-(hydrogensulfate), (3aS,4R,9S,10aS)-;Gonyautoxin 3;1H,10H-Pyrrolo[1,2-c]purine-9,10,10-triol,2,6-diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-, 9-(hydrogensulfate;Hydrogen (3aS,4R,9S,10aS)-2,6-diamino-4-[(carbamoyloxy)methyl]-10 ,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-9-yl sulfate;2-phenyl-3-hydroxy-6,7-dihydro-furano-pyrone;goniothalenol;gonyautoxin 1;gonyautoxin I;gonyautoxin III;(3AS,4R,9S,10aS)-4-((carbamoyloxy)methyl)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate;(+)-Gonyautoxin 3;NS00120203;11.BETA.-HYDROXYSAXITOXIN 11-SULFATE; cent-Hydroxysaxitoxin 11-sulfate;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate;UNII-1FFI43DL2K;Gonyautoxin-3;GONYAUTOXIN IIIM;1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2,6-diamino-4-(((aminocarbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-, (3aS-(3aalpha,4alpha,9alpha,10aR*))-;Toxin GTX3;1FFI43DL2K;Q27252364;11beta-Hydroxysaxitoxin 11-sulfate;1H,10H-PYRROLO(1,2-C)PURINE-9,10,10-TRIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, 9-(HYDROGEN SULFATE), (3AS-(3A.ALPHA.,4.ALPHA.,9.ALPHA.,10AR*))- 11-SULFATE;CS-0454112;DTXSID001018107;GTX3;1H,10H-PYRROLO(1,2-C)PURINE-9,10,10-TRIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, 9-(HYDROGEN SULFATE), (3AS,4R,9S,10AS)-;60537-65-7;GTX III;11;DTXCID801476345;((3aS,4R,9S,10aS)-2,6-diamino-4-(carbamoyloxymethyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-9-yl) sulfate;hydron;1H,10H-PYRROLO(1,2-C)PURINE-9,10,10-TRIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, 9-(HYDROGEN SULFATE), (3AS-(3AALPHA,4ALPHA,9ALPHA,10AR*))-11-SULFATE;((3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-3-ium-4-yl)methyl carbamate;[(3aS,4R,9S,10aS)-2,6-diamino-4-(carbamoyloxymethyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] sulfate;hydron;1H,10H-PYRROLO(1,2-C)PURINE-9,10,10-TRIOL, 2,6-DIAMINO-4-(((AMINOCARBONYL)OXY)METHYL)-3A,4,8,9-TETRAHYDRO-, 9-(HYDROGEN SULFATE), (3AS-(3A.ALPHA.,4.ALPHA.,9.ALPHA.,10AR*))-11-SULFATE;[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-3-ium-4-yl]methyl carbamate;GONYAUTOXINIII;gonyautoxin II, 9-alpha-isomer;((3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo(1,2-c)purin-4-yl)methyl carbamate;

标识符

InChIKey:
ARSXTTJGWGCRRR-LJRZAWCWSA-N
Inchi:
1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4-,5-,9-/m0/s1
SMILES:
S(=O)(=O)(O)O[C@H]1CN2C(N)=N[C@@H](COC(N)=O)[C@H]3[C@]2(C1(O)O)NC(N)=N3

膝沟藻毒素 III(60537-65-7)物化性质

实验特性

  • LogP : -1.91640
  • PSA : 252.78000
  • 折射率 : 1.973
  • 密度 : 2.52

计算特性

  • 精确分子量 : 395.08600
  • 氢键供体数量 : 7
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 5
  • 同位素质量 : 395.08593170g/mol
  • 重原子数量 : 26
  • 复杂度 : 792
  • 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) : -6
  • 拓扑分子极性表面积 : 257Ų

膝沟藻毒素 III(60537-65-7)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单
上海阿拉丁生化科技股份有限公司 13167063860
13167063860
阿拉丁 3004013043
询单