N-Sulfo-11§-Hydroxysaxitoxin Sulfate

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Properties Simple | Detailed

Formula C10H17N7O11S2
IUPAC Name [(3as,4r,9s,10as)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-3h-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
Molecular Mass 475.412 g·mol−1
Heat of Formation -1781.3 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 450.36 Å 3
Surface Area 375.55 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, sulfo-, c-(((3as,4r,9s,10as)-2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1h,8h-pyrrolo(1,2-c)purin-4-yl)methyl) ester
  • carbamic acid, sulfo-, c-((2,6-diamino-3a,4,9,10-tetrahydro-10,10-dihydroxy-9-(sulfooxy)-1h,8h-pyrrolo(1,2-c)purin-4-yl)methyl) ester, (3as-(3aalpha,4alpha,9alpha,10ar*))-
  • carbamoyl-n-sulfo-11beta-hydroxysaxitoxin sulfate
  • carbamoyl-n-sulfogonyautoxin iii
  • gonyautoxin 8
  • gonyautoxin viii
  • gtx viii
  • gtx8
  • n-sulfocarbamoylgonyautoxin 3
  • protogonyautoxin 2
  • protogonyautoxin ii
  • px-2
  • toxin c2
  • toxin c2 from protogonyaulax
  • toxin px2
CAS Number(s)
  • 80248-94-8
  • 80226-62-6
InChIKey OKSSKVHGKYJNLL-LJRZAWCWSA-N
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