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Gonyautoxin-4 - CAS 64296-26-0

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Catalog Number: T000009

CAS Number: 64296-26-0

PubChem Substance ID:355170832

Molecular Formula: C10H17N7O9S

Molecular Weight:411.346

Purity: ≥95%

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Synonym

SynonymsGonyautoxin 4; Toxin GTX4

Property

Molecular Formula: C10H17N7O9S
Molecular Weight411.346
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name[(3aS,4R,9S,10aS)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
InChIInChI=1S/C10H17N7O9S/c11-6-14-5-3(2-25-8(13)18)17(21)7(12)16-1-4(26-27(22,23)24)10(19,20)9(5,16)15-6/h3-5,12,19-21H,1-2H2,(H2,13,18)(H3,11,14,15)(H,22,23,24)/t3-,4-,5-,9-/m0/s1
InChIKeyCETRDCWBMBILAL-LJRZAWCWSA-N
SMILESC1C(C(C23N1C(=N)N(C(C2NC(=N3)N)COC(=O)N)O)(O)O)OS(=O)(=O)O