Catalog Number:
AG003H1F
Chemical Name:
2-Chloroadenosine hemihydrate
CAS Number:
81012-94-4
Molecular Formula:
C20H26Cl2N10O9
Molecular Weight:
621.3880
MDL Number:
MFCD00149351
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
InChI:
InChI=1S/2C10H12ClN5O4.H2O/c2*11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2*2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2/t2*3-,5-,6-,9-;/m11./s1
InChI Key:
WRURCFOLSGPTMO-IZGCVNAISA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N.OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cl)nc2N.O
