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81777-48-2 | 2-[(2-amino-6-chloro-9h-purin-9-yl)methoxy]ethyl acetate
CAS No: 81777-48-2 Catalog No: AG005I28 MDL No:
Product Description
Catalog Number:
AG005I28
Chemical Name:
2-[(2-amino-6-chloro-9h-purin-9-yl)methoxy]ethyl acetate
CAS Number:
81777-48-2
Molecular Formula:
C10H12ClN5O3
Molecular Weight:
285.6870
IUPAC Name:
2-[(2-amino-6-chloropurin-9-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C10H12ClN5O3/c1-6(17)19-3-2-18-5-16-4-13-7-8(11)14-10(12)15-9(7)16/h4H,2-3,5H2,1H3,(H2,12,14,15)
InChI Key:
RAEGIEVTUAVTJO-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cnc2c1nc(N)nc2Cl
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.688g/mol
Monoisotopic Mass:
285.063g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of iodinated and fluorinated 9-(2-hydroxypropyl) and 9-(2-hydroxyethoxy)methyl purine nucleoside analogues. | Journal of medicinal chemistry 20031218 |
| Nucleic acid related compounds. 47. Synthesis and biological activities of pyrimidine and purine 'acyclic' nucleoside analogues. | Journal of medicinal chemistry 19841101 |
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