(+)-Saxitoxin

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Formula C10H17N7O4
IUPAC Name [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-3h-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Molecular Mass 299.286 g·mol−1
Heat of Formation -568.9 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 326.06 Å 3
Surface Area 279.71 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 3.59 ± eV
Point Group Symmetry C1
Synonyms
  • 1h,10h-pyrrolo(1,2-c)purine-10,10-diol, 2,6-diamino-4-(((amino-carbonyl)oxy)methyl)-3a,4,8,9-tetrahydro-, (3as-(3a-alpha,4-alpha,10ar*))
  • gonyaulax catenella poison
  • mytilus californianus poison
  • saxidomus giganteus poison
  • saxitoxin
  • saxitoxin (8ci)
  • saxitoxin hydrate
  • saxitoxin in acetic acid (determination in mussel)
CAS Number(s)
  • 35523-89-8
  • 51938-46-6
  • 55803-44-6
  • 73603-72-2
  • 11017-04-2
InChIKey RPQXVSUAYFXFJA-HGRQIUPRSA-N
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