20310 <common-name>Flavin adenine dinucleotide disodium</common-name> <description nil="true"/> <cas>84366-81-4</cas> <pubchem-id nil="true"/> <chemical-formula>C27H31N9Na2O15P2</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">2016-05-22T05:54:48Z</created-at> <updated-at type="dateTime">2026-04-06T04:21:56Z</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 nil="true"/> <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>[Na+].[Na+].[H][C@@](O)(COP([O-])(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)[C@@]([H])(O)[C@@]([H])(O)CN1C2=C(C=C(C)C(C)=C2)N=C2C([O-])=NC(=O)N=C12</moldb-smiles> <moldb-formula>C27H31N9Na2O15P2</moldb-formula> <moldb-inchi>InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/q;2*+1/p-2/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1</moldb-inchi> <moldb-inchikey>XLRHXNIVIZZOON-WFUPGROFSA-L</moldb-inchikey> <moldb-average-mass type="decimal">829.52</moldb-average-mass> <moldb-mono-mass type="decimal">829.12102389</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <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>CHEM019205</chemdb-id> <dsstox-id>DTXSID0046723</dsstox-id> <toxcast-id>46723</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00099500</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>365.57</moldb-polar-surface-area> <moldb-refractivity>187.1811000000001</moldb-refractivity> <moldb-polarizability>70.8769655706095</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>20</moldb-acceptor-count> <moldb-donor-count>7</moldb-donor-count> <moldb-pka-strongest-acidic>1.8559369033404058</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>5.1058178284360345</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>-0.19</moldb-alogps-logp> <moldb-alogps-logs>-2.22</moldb-alogps-logs> <moldb-alogps-solubility>5.01e+00 g/l</moldb-alogps-solubility> </compound>