8512 <common-name>RIBOFLAVIN 5'-PHOSPHATE</common-name> <description nil="true"/> <cas>146-17-8</cas> <pubchem-id>643976</pubchem-id> <chemical-formula>C17H21N4O9P</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T02:25:11Z</created-at> <updated-at type="dateTime">2026-05-14T17:48:52Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB03247</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C1=NC(=O)NC(=O)C1=N2</moldb-smiles> <moldb-formula>C17H21N4O9P</moldb-formula> <moldb-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</moldb-inchi> <moldb-inchikey>FVTCRASFADXXNN-SCRDCRAPSA-N</moldb-inchikey> <moldb-average-mass type="decimal">456.3438</moldb-average-mass> <moldb-mono-mass type="decimal">456.104614802</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM007407</chemdb-id> <dsstox-id>DTXSID8023559</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00069356</susdat-id> <iupac>{[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}phosphonic acid</iupac> <moldb-polar-surface-area>201.57999999999998</moldb-polar-surface-area> <moldb-refractivity>107.14129999999999</moldb-refractivity> <moldb-polarizability>42.18863753153134</moldb-polarizability> <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count> <moldb-acceptor-count>11</moldb-acceptor-count> <moldb-donor-count>6</moldb-donor-count> <moldb-pka-strongest-acidic>1.4921020390081319</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.6107860700389316</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>-0.78</moldb-alogps-logp> <moldb-alogps-logs>-2.83</moldb-alogps-logs> <moldb-alogps-solubility>6.68e-01 g/l</moldb-alogps-solubility> </compound>