Structure

5'-Chloro-5'-deoxyadenosine

CAS
892-48-8
Catalog Number
ACM892488
Category
Other Products
Molecular Weight
285.69
Molecular Formula
C10H12ClN5O3

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  • Product Description
  • Case Study
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  • Synthetic Use
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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
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
7
H-Bond Donor
3

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

Downstream Synthesis Route 1

  • 892-48-8
  • 64993-91-5

Reference: [1]Chemical and Pharmaceutical Bulletin,1977,vol. 25,p. 2181 - 2188

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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