DIHYDRONEOPTERIN TRIPHOSPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key FFWFMFJKXZWFIG-QBQQJPCDSA-N
Smiles NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N1
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)(H3,10,11,13,14,17)/t4-,5?,6+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N5O13P3
Molecular Weight 495.0
AlogP -2.23
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 9.0
Polar Surface Area 293.47
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 20574-65-6
NORMAN SUSDAT
CONTENTS