Input interpretation
2-chloroadenosine hemihydrate
Chemical names and formulas
formula | C_10H_12ClN_5O_4·0.5H_2O Hill formula | C_20H_26Cl_2N_10O_9 name | 2-chloroadenosine hemihydrate IUPAC name | (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol; (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol; hydrate alternate names | (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol; (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol; hydrate | (2R, 3R, 4S, 5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol; (2R, 3R, 4S, 5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3, 4-diol; hydrate | (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol; (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3, 4-diol; hydrate | (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-methylol-tetrahydrofuran-3, 4-diol; (2R, 3R, 4S, 5R)-2-(6-amino-2-chloro-purin-9-yl)-5-methylol-tetrahydrofuran-3, 4-diol; hydrate | 6-amino-2-chloropurine riboside mass fractions | C (carbon) 38.7% | Cl (chlorine) 11.4% | H (hydrogen) 4.22% | N (nitrogen) 22.5% | O (oxygen) 23.2%
Structure diagram
Structure diagram
Basic properties
molar mass | 621.4 g/mol phase | solid (at STP) melting point | 160 °C
Units
Chemical identifiers
CAS number | 81012-94-4 PubChem CID number | 16218624 PubChem SID number | 24888561 SMILES identifier | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)Cl.O InChI identifier | InChI=1/2C10H12ClN5O4.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/f/h2*12H2; MDL number | MFCD00149351