Phenyl hydrogen [(R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy]methylphosphonate

C₁₅H₁₈N₅O₄PCAS 379270-35-6363.31 g/mol

Open in Covalent MOL file

Ether Phosphonate Primary amine

Properties

Molecular formula: C₁₅H₁₈N₅O₄P
Molar mass: 363.31 g/mol
Exact mass: 363.1096 Da
logP: 2.04Crippen estimate
Polar surface area: 125.4 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 7
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

379270-35-6

SMILES

C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)Oc1ccccc1

InChIKey

ITAMCOCNZJPJDF-LLVKDONJSA-N

InChI

InChI=1S/C15H18N5O4P/c1-11(7-20-9-19-13-14(16)17-8-18-15(13)20)23-10-25(21,22)24-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)(H2,16,17,18)/t11-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Phosphonic acid, [[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, monophenyl ester

Work with Phenyl hydrogen [(R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy]methylphosphonate

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

Tenofovir147127-20-668 % similar Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)206184-49-865 % similar Tenofovir alafenamide379270-37-862 % similar Tenofovir disoproxil201341-05-152 % similar (αS)-6-Amino-α-methyl-9H-purine-9-ethanol14047-27-948 % similar (αR)-6-Amino-α-methyl-9H-purine-9-ethanol14047-28-048 % similar Adefovir106941-25-745 % similar [[[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]hydroxyphosphinyl]oxy]methyl 2,2-dimethylpropanoate142341-05-743 % similar

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

Elsewhere

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