Araboflavin

HCID 193301

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Basic information

CAS: 482-11-1
Standard SMILES: Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C
InChIKey: AUNGANRZJHBGPY-SGMGOOAPSA-N
Molecular formula: C17H20N4O6
Average molar mass: 376.4 g/mol
Monoisotopic mass: 376.13828437

Names & identifiers

Preferred name: Araboflavin
IUPAC: 7,8-dimethyl-10-[(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione

Names & synonyms

Araboflavin10-Arabityl-7,8-dimethylisoalloxazine482-11-1RefChem:113671DTXSID109640231-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxobenzo[g]pteridin-10(2H)-yl)-L-arabinitol1-deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxobenzo[g]pteridin-10(2H)-yl)pentitol7,8-dimethyl-10-((2S,3R,4S)-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione

Database identifiers

CAS: 482-11-1
PubChem CID: 193301
DTXSID: DTXSID10964023
Nikkaji: J19.228G

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 155 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 680

Chemistry & industry

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湖北扬信医药科技有限公司15347293736 · [email protected]

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