D-Fructose, 1-((1-carboxy-2-hydroxypropyl)nitrosoamino)-1-deoxy-, (R-(R,S))-

HCID 3063085

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Basic information

CAS: 99789-43-2
Standard SMILES: CC(O)C(C(=O)O)N(CC(=O)C(O)C(O)C(O)CO)N=O
InChIKey: LYRLRDPMYJPUNE-UHFFFAOYSA-N
Molecular formula: C10H18N2O9
Average molar mass: 310.26 g/mol
Monoisotopic mass: 310.10123016

Names & identifiers

Preferred name: D-Fructose, 1-((1-carboxy-2-hydroxypropyl)nitrosoamino)-1-deoxy-, (R-(R*,S*))-
IUPAC: 3-hydroxy-2-[nitroso-(3,4,5,6-tetrahydroxy-2-oxohexyl)amino]butanoic acid

Names & synonyms

BRN 5596131N-(1-Deoxy-D-fructos-1-yl)-L-N-nitrosothreonine99789-43-2(R-(R*,S*))-1-((1-Carboxy-2-hydroxypropyl)nitrosoamino)-1-deoxy-D-fructoseD-Fructose, 1-((1-carboxy-2-hydroxypropyl)nitrosoamino)-1-deoxy-, (R-(R*,S*))-RefChem:336475DTXSID809124701-[(1-Carboxy-2-hydroxypropyl)(nitroso)amino]-1-deoxyhex-2-ulose

Database identifiers

CAS: 99789-43-2
PubChem CID: 3063085
DTXSID: DTXSID80912470

Properties

Computed structural properties

XLogP: -3.2
Topological polar surface area: 188 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 11
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 378

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