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102728-64-3 | 6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1,9-dihydro-
CAS No: 102728-64-3 Catalog No: AG000885 MDL No:MFCD00871663
Product Description
Catalog Number:
AG000885
Chemical Name:
6H-Purin-6-one, 9-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1,9-dihydro-
CAS Number:
102728-64-3
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
MDL Number:
MFCD00871663
IUPAC Name:
2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C10H13N5O4/c1-6(16)19-3-2-18-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4H,2-3,5H2,1H3,(H3,11,13,14,17)
InChI Key:
DMHAXLGAKQREIL-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
UNII:
Y16CE349S3
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.245g/mol
Monoisotopic Mass:
267.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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 |
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