N-Sulfo-11A-Hydroxysaxitoxin Sulfate

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Formula C10H17N7O11S2
IUPAC Name [(3as,4r,9r,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 -1750.3 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 448.32 Å 3
Surface Area 388.2 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey OKSSKVHGKYJNLL-XXKOCQOQSA-N
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