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

C₁₁H₁₅N₅O₅CAS 88110-89-8297.27 g/mol

Open in Covalent MOL file

Alcohol Ester Ether Phenol

Properties

Molecular formula: C₁₁H₁₅N₅O₅
Molar mass: 297.27 g/mol
Exact mass: 297.1073 Da
logP: -1.16Crippen estimate
Polar surface area: 146.3 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 6

Identifiers

CAS number

88110-89-8

SMILES

CC(=O)OCC(CO)OCn1cnc2c(O)nc(=N)[nH]c21

InChIKey

YKLKCCHLLFMWQE-UHFFFAOYSA-N

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)

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Names and synonyms

3 names

6H-Purin-6-one, 9-[[2-(acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-
2-[(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]-3-acetoxy-1-propanol
3-Hydroxy-2-((2-imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)propyl acetate

Work with 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ganciclovir82410-32-073 % similar Valganciclovir175865-60-872 % similar Valganciclovir hydrochloride175865-59-569 % similar Tri-O-acetylguanosine6979-94-856 % similar Ganciclovir sodium107910-75-853 % similar Penciclovir39809-25-152 % similar Acyclovir59277-89-352 % similar N-[9-[[2-(Acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]acetamide86357-14-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3′-O-Methylguanosine10300-27-3 Nelarabine121032-29-9 1-Methylguanosine2140-65-0 2′-O-Methylguanosine2140-71-8 N2-Methylguanosine2140-77-4 2′-C-Methylguanosine374750-30-8

Elsewhere

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