CAS No. 3249-92-1

Chemical Identifiers

Linear Formula	C₁₀H₁₁BaN₄O₈P • xH₂O
Pubchem CID	136949443
MDL Number	MFCD00067321
EC No.	680-177-4
IUPAC Name	barium(2+); [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate; hydrate
SMILES	C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)([O-])[O-])O)O.O.[Ba+2]
InchI Identifier	InChI=1S/C10H13N4O8P.Ba.H2O/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;1H2/q;+2;/p-2/t4-,6-,7-,10-;;/m1../s1
InchI Key	URYGWSDOROAQQC-IDIVVRGQSA-L