Ethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate hydrochloride

Base Information

• Chemical Name: Ethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate hydrochloride
• CAS No.: 50663-70-2
• Molecular Formula: C12H15 N5 O5 . Cl H
• Molecular Weight: 345.73894
• European Community (EC) Number: 256-695-8
• NSC Number: 161519
• DSSTox Substance ID: DTXSID50964901
• Mol file: 50663-70-2.mol

Synonyms:50663-70-2;ethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate hydrochloride;ethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate;hydrochloride;Ethyl 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronate monohydrochloride;C12H15N5O5.ClH;C12-H15-N5-O5.Cl-H;NSC-161519;DTXSID50964901;NSC161519;9-(5-Ethylpentofuranosyluronosyl)-9H-purin-6-amine--hydrogen chloride (1/1)

Chemical Property of Ethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate hydrochloride

Chemical Property:

• Boiling Point: 619.5oC at 760 mmHg
• Flash Point: 328.5oC
• PSA: 145.61000
• LogP: -0.02600
• Solubility.: DMSO, Water
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 345.0839963
• Heavy Atom Count: 23
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

EthylAdenosine-5''-carboxylateHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.Cl
• Uses: Ethyl Adenosine-5''-carboxylate Hydrochloride is an intermediate in the synthesis of Adenosine 5''-Monophosphate-5'',5''''-d2 Disodium Salt (A281793). Adenosine 5''-Monophosphate-5'',5''''-d2 Disodium Salt is the isotope labelled analogue of Adenosine 5’-Monophosphate (A281790), a nucleotide that is used as a monomer in RNA.