(3aS,10aS)-2,6(3H,5H)-Diimino-4α-(sulfocarbamoyloxymethyl)-9β-(sulfooxy)-3aα,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-5,10,10-triol

Modify Date: 2025-12-06 20:54:10

(3aS,10aS)-2,6(3H,5H)-Diimino-4α-(sulfocarbamoyloxymethyl)-9β-(sulfooxy)-3aα,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-5,10,10-triol structure	Common Name	(3aS,10aS)-2,6(3H,5H)-Diimino-4α-(sulfocarbamoyloxymethyl)-9β-(sulfooxy)-3aα,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-5,10,10-triol
	CAS Number	89614-45-9	Molecular Weight	491.41200
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₇N₇O₁₂S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[2-[(3aS,4R)-2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4-dihydro-3H-pyrrolo[1,2-c]purin-4-yl]-1,1-dihydroxyethyl]sulfamic acid

Molecular Formula	C₁₀H₁₇N₇O₁₂S₂
Molecular Weight	491.41200
Exact Mass	491.03800
PSA	326.15000
InChIKey	XBEZMTRSKAORBL-SNQXASFGSA-N
SMILES	N=C1N(O)C(CC(O)(O)NS(=O)(=O)O)C2N=C(N)NC23N1C=C(OS(=O)(=O)O)C3(O)O

Precursor 0
DownStream 2
CAS#:60748-39-2 Gonyautoxin I CAS#:64296-26-0 gonyautoxin 4

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