Basic information
- CAS
37854-44-7- Standard SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1Cn1cnc(CC(N)C(=O)O)c1- InChIKey
YSPJESWTPGIKKF-UHFFFAOYSA-N- Molecular formula
- C23H27N7O8
- Average molar mass
- 529.5 g/mol
- Monoisotopic mass
- 529.19211085
Names & identifiers
- Preferred name
- N(3)-Histidylriboflavin
- IUPAC
- 2-amino-3-[1-[[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl]methyl]imidazol-4-yl]propanoic acid
- English name
- N(3)-histidylriboflavin
- Molecular formula
- C23H27N7O8
- Molecular weight
- 529.5
Names & synonyms
N(3)-Histidylriboflavin37854-44-7RefChem:1606718 alpha-(N(3)-histidyl)riboflavin2-amino-3-[1-[[7-methyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-8-yl]methyl]imidazol-4-yl]propanoic acid8alpha-(N(3)-Histidyl)riboflavinRiboflavin, alpha8-(4-(2-amino-2-carboxyethyl)-1H-imidazol-1-yl)-, (S)-Riboflavin, α8-[4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-1-yl]- (9CI)
Database identifiers
- CAS
37854-44-7- PubChem CID
- 193752
Properties
Computed structural properties
- XLogP
- -5.4
- Topological polar surface area
- 236 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 993
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
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Compound notes
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