Riboflavin 5'-phosphate sodiumProduct ingredient for Flavin mononucleotide

Name
Riboflavin 5'-phosphate sodium
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
Thumb
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 phosphate sodium / 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
ChemSpider
2016840
ChEMBL
CHEMBL3989697
Predicted Properties
PropertyValueSource
Water Solubility2.21 mg/mLALOGPS
logP-0.54ALOGPS
logP-1.2ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)1.57ChemAxon
pKa (Strongest Basic)0.68ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area204.41 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity106.02 m3·mol-1ChemAxon
Polarizability41.92 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon