Tenofovir alafenamide

C₂₁H₂₉N₆O₅PCAS 379270-37-8476.47 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₂₁H₂₉N₆O₅P
Molar mass: 476.47 g/mol
Exact mass: 476.1937 Da
logP: 2.97Crippen estimate
Polar surface area: 143.5 Å²
H-bond donors / acceptors: 2 / 9
Rotatable bonds: 11
Stereocentres: S, S, Rin SMILES atom order

Identifiers

CAS number

379270-37-8

SMILES

CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1

InChIKey

LDEKQSIMHVQZJK-CAQYMETFSA-N

InChI

InChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/t15-,16+,33+/m1/s1

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

Names and synonyms

4 names

L-Alanine, N-[(S)-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]phenoxyphosphinyl]-, 1-methylethyl ester
GS 7340
4: PN: WO2016077321 SEQID: 4 claimed sequence
Vemlidy

Work with Tenofovir alafenamide

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

Phenyl hydrogen [(R)-1-(6-amino-9H-purin-9-yl)propan-2-yloxy]methylphosphonate379270-35-662 % similar Tenofovir disoproxil201341-05-155 % similar Tenofovir147127-20-652 % similar Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, hydrate (1:1)206184-49-850 % similar N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-839 % similar (αS)-6-Amino-α-methyl-9H-purine-9-ethanol14047-27-938 % similar (αR)-6-Amino-α-methyl-9H-purine-9-ethanol14047-28-038 % similar Diethyl P-[[2-(6-amino-9H-purin-9-yl)ethoxy]methyl]phosphonate116384-53-336 % similar

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

Elsewhere

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