8-Dhdc-fad
Basic information
- CAS
104324-33-6- Standard SMILES
Cc1cc2cc3c(=O)[nH]c(=O)[nH]c3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c-2cc1=O- InChIKey
STDZKPOWOJIPDH-UHFFFAOYSA-N- Molecular formula
- C27H32N8O16P2
- Average molar mass
- 786.5 g/mol
- Monoisotopic mass
- 786.14115096
Names & identifiers
- Preferred name
- 8-Dhdc-fad
- IUPAC
- [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [2,3,4-trihydroxy-5-(7-methyl-2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentyl] hydrogen phosphate
- English name
- 8-demethyl-8-hydroxy-5-deaza-5-carba-FAD
- Molecular formula
- C27H32N8O16P2
- Molecular weight
- 786.534502
Names & synonyms
104324-33-68-Dhdc-fad8-Demethyl-8-hydroxy-5-deaza-5-carba-fadP inverted exclamation marka inverted exclamation marku5-ester with 1-deoxy-1-(3,4-dihydro-8-hydroxy-7-methyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol adenosine 5 inverted exclamation marka-(trihydrogen diphosphate)P'-->5-ester with 1-deoxy-1-(3,4-dihydro-8-hydroxy-7-methyl-2,4-dioxopyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol adenosine 5'-(trihydrogen diphosphate)
Database identifiers
- CAS
104324-33-6- PubChem CID
- 196376
Properties
Computed structural properties
- XLogP
- -6.2
- Topological polar surface area
- 361 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,740
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