RIBOFLAVIN 5'-PHOSPHATE

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Synonyms
Status
Molecule Category Free-form
UNII 7N464URE7E
EPA CompTox DTXSID8023559
Parent Compound: RIBOFLAVIN

Structure

InChI Key FVTCRASFADXXNN-SCRDCRAPSA-N
Smiles Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C
InChI
InChI=1S/C17H21N4O9P/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)/t11-,12+,14-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21N4O9P
Molecular Weight 456.35
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

Cross References

Resources Reference
ChEBI 17621
ChEMBL CHEMBL1201794
DrugBank DB03247
DrugCentral 2374
FDA SRS 7N464URE7E
Human Metabolome Database HMDB0001520
Guide to Pharmacology 5185
KEGG C00061
PDB FMN
SureChEMBL SCHEMBL41133
ZINC ZINC000003831425
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