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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 17:16, 17 February 2012 (Saving copy of the {{chembox}} taken from revid 476022757 of page FAD for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 17:16, 17 February 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 476022757 of page FAD for the Chem/Drugbox validation project (updated: 'ChemSpiderID', 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 476022757 of page FAD with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Stereo, Kekulé, skeletal formula of a minor tautomer of FAD
Spacefill model of a minor tautomer of FAD
Ball and stick model of a minor tautomer of FAD
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1208946
ChEBI
ChemSpider
DrugBank
EC Number
  • 205-663-1
Gmelin Reference 108834
MeSH Flavin-Adenine+Dinucleotide
PubChem CID
UNII
InChI
  • InChI=1S/C27H33N9O15P2/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)/t14-,15+,16+,19-,20+,21+,26+/m0/s1Key: VWWQXMAJTJZDQX-UYBVJOGSSA-N
  • InChI=1/C27H33N9O15P2/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)Key: VWWQXMAJTJZDQX-UYBVJOGSBL
SMILES
  • Cc1cc2nc3c(nc(O)nc3=O)n(CC(O)C(O)C(O)COP(O)(=O)OP(O)(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)c2cc1C
Properties
Chemical formula C
27H
33P
2N
9O
15
Molar mass 785.5497 g mol
Appearance White, vitreous crystals
log P -1.336
Acidity (pKa) 1.128
Basicity (pKb) 12.8689
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound