1,5-dihydro-FAD

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 446013
Molecular Formula

C27H35N9O15P2

SMILES

CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O

InChI

InChI=1S/C27H35N9O15P2/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/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

synonyms
  • FADH2
  • 1,5-dihydro-FAD
  • FADH
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Properties
Property Value
MW 787.6 g/mol
HBD 11
HBA 21
Rotatable Bond Count 13
Exact Mass 787.17278544 g/mol
Monoisotopic Mass 787.17278544 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1520
xlogp -4.8
Topological Polar Surface Area 356