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88110-89-8 | 9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6h-purin-6-one
CAS No: 88110-89-8 Catalog No: AG004G29 MDL No:
Product Description
Catalog Number:
AG004G29
Chemical Name:
9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6h-purin-6-one
CAS Number:
88110-89-8
Molecular Formula:
C11H15N5O5
Molecular Weight:
297.2673
IUPAC Name:
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] acetate
InChI:
InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)
InChI Key:
YKLKCCHLLFMWQE-UHFFFAOYSA-N
SMILES:
OCC(OCn1cnc2c1nc(N)[nH]c2=O)COC(=O)C
EC Number:
680-297-7
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.271g/mol
Monoisotopic Mass:
297.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
Literature
| Title | Journal |
|---|---|
| Effect of mono- and di-acylation on the ocular disposition of ganciclovir: physicochemical properties, ocular bioreversion, and antiviral activity of short chain ester prodrugs. | Journal of pharmaceutical sciences 20020301 |
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