5'-Chloro-5'-deoxyadenosine

CAS

892-48-8

Catalog Number

ACM892488

Category

Other Products

Molecular Weight

285.69

Molecular Formula

C₁₀H₁₂ClN₅O₃

MSDS COA Spec Sheet

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Specification

Synonyms

(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol; 5-Chloro-5-deoxyadenosine;

IUPAC Name

2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol

Canonical SMILES

C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CCl)O)O

InChI Key

IYSNPOMTKFZDHZ-UHFFFAOYSA-N

Boiling Point

645.6ºC at 760 mmHg

Melting Point

187ºC

Flash Point

344.2ºC

Density

2.03g/cm³

Exact Mass

285.06300

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

58-61-7

892-48-8

Reference: [1] Journal of Medicinal Chemistry, 2012, vol. 55, # 18, p. 8066 - 8074,9

Upstream Synthesis Route 2

662131-88-6

892-48-8

Reference: [1] European Journal of Organic Chemistry, 2003, # 24, p. 4748 - 4751
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 85, # 1-4, p. 149 - 152

Upstream Synthesis Route 3

142031-35-4

892-48-8

Reference: [1] Chemistry and Biology, 2014, vol. 21, # 3, p. 345 - 356

Upstream Synthesis Route 4

662131-88-6

892-48-8

Reference: [1]European Journal of Organic Chemistry,2003,p. 4748 - 4751
[2]Phosphorus, Sulfur and Silicon and the Related Elements,1993,vol. 85,p. 149 - 152