Basic information
- CAS
130-40-5- Standard SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)c2cc1C- InChIKey
FVTCRASFADXXNN-MBNYWOFBSA-N- Molecular formula
- C17H21N4O9P
- Average molar mass
- 456.3 g/mol
- Monoisotopic mass
- 456.10461526
Overview
Fmn semiquinone has been reported in Escherichia coli with data available.
Names & identifiers
- Preferred name
- Flavin mononucleotide semiquinone
- IUPAC
- [(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate
- English name
- flavin mononucleotide semiquinone
- Molecular formula
- C17H21N4O9P
- Molecular weight
- 456.35
Names & synonyms
Fmn semiquinoneFlavin mononucleotide semiquinone34469-63-1[(2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] dihydrogen phosphate((2S,3R,4R)-5-(7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10-yl)-2,3,4-trihydroxypentyl) dihydrogen phosphateRefChem:140620Riboflavine 5'-phosphateRiboflavin 5'-(dihydrogen phosphate), radical ion(1-)RIBOFLAVIN 5-PHOSPHATE SODIUMSCHEMBL190079CHEMBL283501DTXSID90956007
Show more names
AKOS015914015BRD-K58734774-236-02-21-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxobenzo[g]pteridin-10(2H)-yl)-5-O-phosphonopentitol5-Deoxy-5-(4-hydroxy-7,8-dimethyl-2-oxobenzo[g]pteridin-10(2H)-yl)-1-O-phosphono-D-ribitol
Database identifiers
- CAS
130-40-5、34469-63-1- PubChem CID
- 8965
- DTXSID
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 202 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 843
Physicochemical properties
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationRiboflavin 5-phosphate sodium: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers3 total
CLEARSYNTH LABS LTD.+91-22-45045900 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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