Riboflavin 5'-phosphate sodium anhydrousProduct ingredient for Flavin mononucleotide

Name
Riboflavin 5'-phosphate sodium anhydrous
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
DBSALT001766
Structure
Thumb
Synonyms
Flavin mononucleotide monosodium salt / Riboflavin 5'-(dihydrogen phosphate), sodium salt (1:1) / Riboflavin 5'-phosphate sodium / Riboflavin sodium phosphate / Riboflavin sodium phosphate anhydrous / Sodium riboflavin phosphate
UNII
957E53WV42
CAS Number
130-40-5
Weight
Average: 478.33
Monoisotopic: 478.08655952
Chemical Formula
C17H20N4NaO9P
InChI Key
OHSHFZJLPYLRIP-BMZHGHOISA-M
InChI
InChI=1S/C17H21N4O9P.Na/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);/q;+1/p-1/t11-,12+,14-;/m0./s1
IUPAC Name
sodium 7,8-dimethyl-2-oxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-(phosphonooxy)pentyl]-2H,10H-benzo[g]pteridin-4-olate
SMILES
[Na+].[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)CN1C2=C(C=C(C)C(C)=C2)N=C2C([O-])=NC(=O)N=C12
External Links
ChemSpider
80902
ChEBI
32098
ChEMBL
CHEMBL1201795
Predicted Properties
PropertyValueSource
Water Solubility0.285 mg/mLALOGPS
logP-0.51ALOGPS
logP-0.67ChemAxon
logS-3.2ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-2.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area207.9 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity118.01 m3·mol-1ChemAxon
Polarizability41.76 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon