Name: Name:9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6h-purin-6-one
Brand: Angene
SKU: AG004G29
Rating: 90 (10 reviews)

9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6h-purin-6-one

CAS No.:

88110-89-8

Catalog Number:

AG004G29

Molecular Formula:

C11H15N5O5

Molecular Weight:

297.2673

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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

MDL Number:

MFCD09840659

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.107g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.271g/mol

Monoisotopic Mass:

297.107g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

141A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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

Properties