8-Methylamino-riboflavin
Basic information
- CAS
62746-55-8- Standard SMILES
CNc1cc2c(cc1C)nc1c(=O)[nH]c(=O)nc-1n2CC(O)C(O)C(O)CO- InChIKey
PWZSYWZSTDXLFL-UHFFFAOYSA-N- Molecular formula
- C17H21N5O6
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.14918341
Overview
structure in first source
Names & identifiers
- Preferred name
- 8-Methylamino-riboflavin
- IUPAC
- 7-methyl-8-(methylamino)-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
Names & synonyms
8-Methylaminoriboflavin8-Methylamino-riboflavinRiboflavin, 8-demethyl-8-(methylamino)-RefChem:1072638-Dimethyl-8-(methylamino)riboflavin7-methyl-8-(methylamino)-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dioneDTXSID709783881-Deoxy-1-[4-hydroxy-7-methyl-8-(methylamino)-2-oxobenzo[g]pteridin-10(2H)-yl]pentitol
Database identifiers
- CAS
62746-55-8- PubChem CID
- 196405
- DTXSID
DTXSID70978388
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 698
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Related reactions
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Compound notes
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