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CAS Number: 97845-60-8
2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate

Structure

 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate
Name: 2-(2-(2-amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate
Synonyms:
General Information
Product Number: 97845608

CAS Registry Number 97845-60-8
Name:
1,?3-?Propanediol, 2-?[2-?(2-?amino-?6-?chloro-?9H-?purin-?9-?yl)?ethyl]?-?, 1,?3-?diacetate
1,3-Propanediol, 2-[2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]-, diacetate (ester) (9CI)
9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine

 

Chemical Formula: C14H18ClN5O4
Exact Mass: 355.10
Molecular Weight: 355.78
m/z: 355.10 (100.0%), 357.10 (32.0%), 356.11 (15.5%), 358.11 (5.2%), 357.11 (2.2%), 356.10 (1.8%)

 

InChI:InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)

InChI Key:KXPSHSVVYGZKAV-UHFFFAOYSA-N

Canonical SMILES:CC(=O)OCC(CCN1C=NC2=C1N=C(N=C2Cl)N)COC(=O)C

 

Thermal Properties Value Condition Note
Melting Point 132-134 °C Solv: isopropanol (67-63-0) (2)CAS

Specification

98%
References

(2) Torii, Takayoshi; Tetrahedron 2006, V62(24), P5709-5716 CAPLUS
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