dihydroneopterin triphosphate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 31
PubChem 135398610
Molecular Formula

C9H16N5O13P3

SMILES

C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)/t4-,6+/m1/s1

synonyms
  • dihydroneopterin triphosphate
  • 7,8-dihydroneopterin 3'-triphosphate
  • 7,8-dihydroneopterin triphosphate
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Properties
Property Value
MW 495.17 g/mol
HBD 9
HBA 16
Rotatable Bond Count 9
Exact Mass 494.99574658 g/mol
Monoisotopic Mass 494.99574658 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 956
xlogp -6.5
Topological Polar Surface Area 292