NAD

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 61
Total Number of Articles : 49
PubChem 5892
Molecular Formula

C21H27N7O14P2

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

InChI

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

synonyms
  • nadide
  • 53-84-9
  • NAD+
Click to show/hide the synonyms
Properties
Property Value
MW 663.4 g/mol
HBD 7
HBA 18
Rotatable Bond Count 11
Exact Mass 663.10912256 g/mol
Monoisotopic Mass 663.10912256 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1120
xlogp -6
Topological Polar Surface Area 321