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102728-66-5 | 6H-Purin-6-one, 7-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1,7-dihydro-
CAS No: 102728-66-5 Catalog No: AG000884 MDL No:
Product Description
Catalog Number:
AG000884
Chemical Name:
6H-Purin-6-one, 7-[[2-(acetyloxy)ethoxy]methyl]-2-amino-1,7-dihydro-
CAS Number:
102728-66-5
Molecular Formula:
C10H13N5O4
Molecular Weight:
267.2413
IUPAC Name:
2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethyl acetate
InChI:
InChI=1S/C10H13N5O4/c1-6(16)19-3-2-18-5-15-4-12-8-7(15)9(17)14-10(11)13-8/h4H,2-3,5H2,1H3,(H3,11,13,14,17)
InChI Key:
DMZLSBUFGNQUCX-UHFFFAOYSA-N
SMILES:
CC(=O)OCCOCn1cnc2c1c(=O)[nH]c(n2)N
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
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