RIBOFLAVIN 5'-PHOSPHATE SODIUM

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 20RD1DZH99
Parent Compound: RIBOFLAVIN

Structure

InChI Key LQVGUKOCMOKKJU-QPVGXXQTSA-M
Smiles Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+]
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24N4NaO11P
Molecular Weight 514.36
AlogP -1.61
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 7.0
Polar Surface Area 208.09
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 380 - - -
Unclassified protein
- 770 - - 76-83
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 770 - - 76-83
Homo sapiens
- 380 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3989697
FDA SRS 20RD1DZH99
PubChem 23687712
SureChEMBL SCHEMBL21899339
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