2-Chloroadenosine hemihydrate

Base Information

• Chemical Name: 2-Chloroadenosine hemihydrate
• CAS No.: 81012-94-4
• Molecular Formula: C10H12 Cl N5 O4 . 1/2 H2 O
• Molecular Weight: 319.7
• Hs Code.: 2934999090
• European Community (EC) Number: 630-491-2
• Mol file: 81012-94-4.mol

Synonyms:2-Chloroadenosine hemihydrate;81012-94-4;AKOS024462537;SCHEMBL489871;WRURCFOLSGPTMO-IZGCVNAISA-N;2-Chloroadenosine hemihydrate, 97%;CS-W016742;DS-7823;G68901;A840019;(2R,3R,4S,5R)-2-(6-amino-2-chloro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hemihydrate

Chemical Property of 2-Chloroadenosine hemihydrate

Chemical Property:

• Vapor Pressure: 1.37E-21mmHg at 25°C
• Melting Point: 160 °C (dec.)(lit.)
• Boiling Point: 717.2oC at 760 mmHg
• Flash Point: 387.6oC
• PSA: 148.77000
• LogP: -0.80970
• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 4
• Exact Mass: 620.1261278
• Heavy Atom Count: 41
• Complexity: 367

Purity/Quality:

98% ,90% , ^*data from raw suppliers

2-Chloroadenosine hemihydrate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N.O
• Isomeric SMILES: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N.C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)Cl)N.O