sodium [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3λ5-phosphabicyclo[4.3.0]non-9-yl] butanoate

Molecular Formula: C18H23N5NaO8P


InChI: InChI=1/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1/fC18H23N5O8P.Na/h22H;/q-1;m

InChIKey: InChIKey=KRBZRVBLIUDQNG-VZGFGFBSDE
SMILES: CCCC(=O)NC1=NC=NC2=C1N=CN2C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC.[Na+]

Names:
    sodium [(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3λ5-phosphabicyclo[4.3.0]non-9-yl] butanoate

Registries:
    PubChem CID 167813
    PubChem ID 10256599