Isopropyl (hydroxy(phenoxy)phosphoryl)-L-alaninate

C₁₂H₁₈NO₅PCAS 1520010-86-9287.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₈NO₅P
Molar mass: 287.25 g/mol
Exact mass: 287.0923 Da
logP: 2.10Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

1520010-86-9

SMILES

C[C@@H](C(=O)OC(C)C)NP(=O)(O)OC1=CC=CC=C1

InChIKey

VWCWNONWGCHOGN-JTQLQIEISA-N

InChI

InChI=1S/C12H18NO5P/c1-9(2)17-12(14)10(3)13-19(15,16)18-11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,13,15,16)/t10-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Sofosbuvir impurity

Work with Isopropyl (hydroxy(phenoxy)phosphoryl)-L-alaninate

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

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-862 % similar Isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate1337529-56-262 % similar Tenofovir alafenamide379270-37-842 % similar 2-Ethylbutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate1911578-98-742 % similar Psi-79761190308-01-041 % similar N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 2-ethylbutyl ester1354823-36-140 % similar Tenofovir alafenamide fumarate1392275-56-739 % similar Isopropyl benzoate939-48-036 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook