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N-Sulfocarbamoylgonyautoxin-2 - CAS 80173-30-4


N-Sulfocarbamoylgonyautoxin-2 (CAS 80173-30-4) belongs to gonyautoxins. 

Catalog Number: T000169

CAS Number: 80173-30-4

Molecular Formula: C10 H17 N7 O11 S2

Molecular Weight:475.41

Purity: ≥95%

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* For research use only. Not for human or veterinary use.

Synonym

SynonymsToxin C1 from Protogonyaulax; Epigonyautoxin 8

Property

Molecular Formula: C10 H17 N7 O11 S2
Molecular Weight475.41
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name[(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
InChIInChI=1S/C10H17N7O11S2/c11-6-14-5-3(2-27-8(18)16-29(21,22)23)13-7(12)17-1-4(28-30(24,25)26)10(19,20)9(5,17)15-6/h3-5,19-20H,1-2H2,(H2,12,13)(H,16,18)(H3,11,14,15)(H,21,22,23)(H,24,25,26)/t3-,4+,5-,9?/m0/s1
InChIKeyOKSSKVHGKYJNLL-ORQQJGPTSA-N
SMILESC1C(C(C23N1C(=NC(C2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O