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2,6-Deoxyfructosazine-[13C4]

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General Information
Catalog: BLP-001959
CAS: 1246817-52-6
Molecular Formula: C8[13C]4H20N2O7
Molecular Weight: 308.27

Chemical Structure

Synonyms	2,6-Deoxyfructosazine-13C4
IUPAC Name	(1R,2S,3R)-1-[6-[(2S,3R)-2,3,4-trihydroxybutyl](2,3,5,6-13C4)pyrazin-2-yl]butane-1,2,3,4-tetrol
Related CAS	36806-15-2 (unlabelled)
Isomeric SMILES	[13CH]1=[13C](N=[13C]([13CH]=N1)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H]([C@@H](CO)O)O
Canonical SMILES	C1=C(N=C(C=N1)C(C(C(CO)O)O)O)CC(C(CO)O)O
InChI	InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10+,11+,12+/m0/s1/i2+1,3+1,6+1,7+1
InChI Key	MBHUNOHYVYVNIP-ORHSJBJQSA-N
Purity	95% (CP); 98% atom 13C
Solubility	Soluble in Water
Appearance	Pale Beige to Tan Solid
Storage	Store at -20°C