Chemical Component Summary

Name4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid
Synonyms9-(4-(phosphonobutil)hypoxanthine
Identifiers4-(6-oxidanylidene-1~{H}-purin-9-yl)butylphosphonic acid
FormulaC9 H13 N4 O4 P
Molecular Weight272.198
TypeNON-POLYMER
Isomeric SMILESc1nc2c(n1CCCCP(=O)(O)O)N=CNC2=O
InChIInChI=1S/C9H13N4O4P/c14-9-7-8(10-5-11-9)13(6-12-7)3-1-2-4-18(15,16)17/h5-6H,1-4H2,(H,10,11,14)(H2,15,16,17)
InChIKeySXKIHSHTTWSCGF-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count31
Chiral Atom Count0
Bond Count32
Aromatic Bond Count5

Related Resource References

Resource NameReference
PubChem 57391974, 135567194
ChEMBL CHEMBL1928781