({[(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

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Formula C10H17N7O7S
IUPAC Name [(3as,4r,10as)-2,6-diamino-10,10-dihydroxy-3a,4,8,9-tetrahydro-1h-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
Molecular Mass 379.350 g·mol−1
Heat of Formation -1086.7 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 384.36 Å 3
Surface Area 329.14 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 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
  • 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*))-
  • gonyautoxin v
  • gonyautoxin-v
CAS Number(s)
  • 64296-25-9
  • 122139-78-0
InChIKey JKKCSFJSULZNDN-HGRQIUPRSA-N
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