Catalog Number:
AG001EEJ
Chemical Name:
Sodium ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphate hydrate(2:1:x)
CAS Number:
146877-92-1
Molecular Formula:
C10H14N5Na2O8P
Molecular Weight:
409.2002
MDL Number:
MFCD00151004
IUPAC Name:
disodium;[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;hydrate
InChI:
InChI=1S/C10H14N5O7P.2Na.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;;1H2/q;2*+1;/p-2
InChI Key:
HDDUZEKWRALMDG-UHFFFAOYSA-L
SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)([O-])[O-].O.[Na+].[Na+]
