2-Amino-9-(((1RS)-2-chloro-1-(hydroxymethyl)ethoxy)methyl)-1,9-dihydro-6H-purin-6-one

C₉H₁₂ClN₅O₃CAS 108436-36-8273.68 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether Primary amine

Properties

Molecular formula: C₉H₁₂ClN₅O₃
Molar mass: 273.68 g/mol
Exact mass: 273.0629 Da
logP: -0.72Crippen estimate
Polar surface area: 119.0 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5

Identifiers

CAS number

108436-36-8

SMILES

C1=NC2=C(N1COC(CO)CCl)N=C(NC2=O)N

InChIKey

FQZPLTGJIGCMPY-UHFFFAOYSA-N

InChI

InChI=1S/C9H12ClN5O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5,16H,1-2,4H2,(H3,11,13,14,17)

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Names and synonyms

1 names

2'-Monodehydroxy-2'-chloro ganciclovir

Work with 2-Amino-9-(((1RS)-2-chloro-1-(hydroxymethyl)ethoxy)methyl)-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

2'-Gmp12237-24-043 % similar Ganciclovir82410-32-043 % similar Ganciclovir sodium107910-75-838 % similar 9-[[2-(Acetyloxy)-1-(hydroxymethyl)ethoxy]methyl]-2-amino-1,9-dihydro-6H-purin-6-one88110-89-837 % similar Valganciclovir175865-60-836 % similar 2'-Deoxyguanosine-5'-diphosphate trisodium salt102783-74-435 % similar Valganciclovir hydrochloride175865-59-535 % similar N2-Boc-guanine-9-acetic acid1028077-12-432 % similar

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

Elsewhere

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