Riboflavin sodiumProduct ingredient for Riboflavin

Name
Riboflavin sodium
Drug Entry
Riboflavin

Nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables. The richest natural source is yeast. It occurs in the free form only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide.

Accession Number
DBSALT002842
Structure
Synonyms
Riboflavin monosodium / Riboflavin, sodium salt / Sodium riboflavin / Sodium riboflavinate
UNII
04SRR95RP8
CAS Number
7681-29-0
Weight
Average: 398.351
Monoisotopic: 398.12022863
Chemical Formula
C17H19N4NaO6
InChI Key
YXJHJCDOUFKMBG-BMZHGHOISA-M
InChI
InChI=1S/C17H20N4O6.Na/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);/q;+1/p-1/t11-,12+,14-;/m0./s1
IUPAC Name
sodium 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide
SMILES
[Na+].CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)[N-]C(=O)C3=NC2=C1
ChemSpider
32697429
Predicted Properties
PropertyValueSource
Water Solubility0.328 mg/mLALOGPS
logP-1.4ALOGPS
logP-0.92Chemaxon
logS-3.1ALOGPS
pKa (Strongest Acidic)5.97Chemaxon
pKa (Strongest Basic)-0.19Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area152.25 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity95.47 m3·mol-1Chemaxon
Polarizability37.02 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon