Riboflavin-5'-phosphate sodium salt dihydrateProduct ingredient for Flavin mononucleotide
- Name
- Riboflavin-5'-phosphate sodium salt dihydrate
- Drug Entry
- Flavin mononucleotide
A coenzyme for a number of oxidative enzymes including NADH DEHYDROGENASE. It is the principal form in which RIBOFLAVIN is found in cells and tissues.
- Accession Number
- DBSALT000877
- Structure
Structure for Riboflavin-5'-phosphate sodium salt dihydrate (DBSALT000877)
- Synonyms
- Flavin mononucleotide dihydrate / Phosphated riboflavin / Riboflavin 5'-(dihydrogen phosphate), monosodium salt, dihydrate / Riboflavin 5'-(dihydrogen phosphate), sodium salt, hydrate (1:1:2) / Riboflavin 5'-phosphate sodium dihydrate / Riboflavin sodium phosphate dihydrate / Riboflavine 5'-(sodium hydrogen phosphate), dihydrate / Vitamin B2 phosphate (sodium salt) dihydrate
- UNII
- 20RD1DZH99
- CAS Number
- 6184-17-4
- Weight
- Average: 514.36
Monoisotopic: 514.10768889 - Chemical Formula
- C17H24N4NaO11P
- InChI Key
- LQVGUKOCMOKKJU-QPVGXXQTSA-M
- InChI
- InChI=1S/C17H21N4O9P.Na.2H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;2*1H2/q;+1;;/p-1/t11-,12+,14-;;;/m0.../s1
- IUPAC Name
- sodium 10-[(2S,3S,4R)-5-(hydrogen phosphonooxy)-2,3,4-trihydroxypentyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione dihydrate
- SMILES
- O.O.[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)COP(O)([O-])=O)C3=NC(=O)NC(=O)C3=NC2=C1
- External Links
- ChemSpider
- 2016840
- BindingDB
- 50523758
- ChEMBL
- CHEMBL3989697
- Predicted Properties
Property Value Source Water Solubility 2.21 mg/mL ALOGPS logP -0.54 ALOGPS logP -1.2 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 1.57 Chemaxon pKa (Strongest Basic) 0.68 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 204.41 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 106.02 m3·mol-1 Chemaxon Polarizability 41.92 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon