8-Aminoriboflavin
Basic information
- CAS
5178-05-2- Standard SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N- InChIKey
BZHBNLOEUZEUOA-LOWVWBTDSA-N- Molecular formula
- C16H19N5O6
- Average molar mass
- 377.35 g/mol
- Monoisotopic mass
- 377.13353334
Overview
8-amino-8-demethylriboflavin is a benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by an amino group. It is a tetrol, an aromatic amine, a benzopteridine and a primary amino compound. It is functionally related to a riboflavin. It is a conjugate acid of an 8-amino-8-demethylriboflavin(1-).
Names & identifiers
- Preferred name
- 8-Aminoriboflavin
- IUPAC
- 8-amino-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
- English name
- 8-Amino-8-Demethylriboflavin
- Molecular formula
- C16H19N5O6
- Molecular weight
- 377.35196
Names & synonyms
8-Amino-8-demethylriboflavin5178-05-2CHEBI:1373368-Demethyl-8-aminoriboflavin8-AminoriboflavinRefChem:9145058-Amino-8-demethyl-D-riboflavin1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)-1-deoxy-d-ribitolSCHEMBL864292DTXSID009660968-amino-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dioneC21646
Show more names
1-(8-Amino-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-deoxy-D-ribitol1-(8-Amino-4-hydroxy-7-methyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-deoxypentitol
Database identifiers
- CAS
5178-05-2- PubChem CID
- 193403
- DTXSID
DTXSID00966096- ChEBI
CHEBI:137336- Nikkaji
- J2.773.210K、J536.063C
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 682
Chemistry & industry
Additional notes
DefinitionChEBI: 8-amino-8-demethylriboflavin is a benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by an amino group. It is a benzopteridine, an aromatic amine, a tetrol and a primary amino compound. It is functionally related to a riboflavin. It is a conjugate acid of an 8-amino-8-demethylriboflavin(1-).
Related reactions
0 records
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Compound notes
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