Basic information
- CAS
104324-32-5- Standard SMILES
Cc1cc2cc3c(=O)[nH]c(=O)[nH]c3n(CC(O)C(O)C(O)COP(=O)(O)O)c-2cc1=O- InChIKey
IVWFQYBNCSZJFY-MJBXVCDLSA-N- Molecular formula
- C17H20N3O10P
- Average molar mass
- 457.3 g/mol
- Monoisotopic mass
- 457.08863084
Names & identifiers
- Preferred name
- 8-Dhdc-fmn
- IUPAC
- [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] dihydrogen phosphate
- English name
- 8-demethyl-8-hydroxy-5-deaza-5-carba-FMN
- Molecular formula
- C17H20N3O10P
- Molecular weight
- 457.33
Names & synonyms
104324-32-58-Dhdc-fmn8-Demethyl-8-hydroxy-5-deaza-5-carba-fmnDTXSID709089231-Deoxy-1-(2,4-dihydroxy-7-methyl-8-oxopyrimido[4,5-b]quinolin-10(8H)-yl)-5-O-phosphonopentitolD-Ribitol, 1-deoxy-1-(3,4-dihydro-8-hydroxy-7-methyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-, 5-(dihydrogen phosphate) (9CI)
Database identifiers
- CAS
104324-32-5- PubChem CID
- 196375
- DTXSID
DTXSID70908923
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 206 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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