Gonyautoxin 3

CAS
60537-65-7
Catalog Number
ACM60537657
Category
Other Products
Molecular Weight
395.35
Molecular Formula
C10H17N7O8S

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Specification

Synonyms
(3aS,4R,9R,10aS)-2,6-Diamino-4-[[(aminocarbonyl)oxy]methyl]-3a,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-9,10,10-triol 9-(Hydrogen Sulfate); (+)-Gonyautoxin 3; 11β-Hydroxysaxitoxin 11-sulfate; GTX III; GTX3; Gonyautoxin III; Toxin GTX3;
IUPAC Name
[(3aS,4R,9S,10aS)-2,6-diamino-4-(carbamoyloxymethyl)-10,10-dihydroxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-9-yl] sulfate; hydron
Canonical SMILES
C1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O
InChI Key
ARSXTTJGWGCRRR-LJRZAWCWSA-N
Density
2.52g/cm³
Exact Mass
395.08600
H-Bond Acceptor
14
H-Bond Donor
6
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