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

C₁₅H₁₈N₅O₄PCAS 379270-35-6363.31 g/mol

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

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

Weigh it out

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

Names and synonyms

2 names

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

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

(S)-Tenofovir147127-19-368 % similar 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 alafenamide fumarate1392275-56-757 % similar Tenofovir disoproxil201341-05-152 % similar S-9-(2-Hydroxypropyl)adenine14047-27-948 % similar D-(-)-9-(2-Hydroxypropyl)adenine14047-28-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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