Isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate

C₁₈H₁₇F₅NO₅PCAS 1337529-56-2453.30 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₈H₁₇F₅NO₅P
Molar mass: 453.30 g/mol
Exact mass: 453.0765 Da
logP: 4.88Crippen estimate
Polar surface area: 73.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 8
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

1337529-56-2

SMILES

C[C@@H](C(=O)OC(C)C)N[P@@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F

InChIKey

MIILDBHEJQLACD-PAUNIHGJSA-N

InChI

InChI=1S/C18H17F5NO5P/c1-9(2)27-18(25)10(3)24-30(26,28-11-7-5-4-6-8-11)29-17-15(22)13(20)12(19)14(21)16(17)23/h4-10H,1-3H3,(H,24,26)/t10-,30+/m0/s1

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

Names and synonyms

1 names

L-Alanine, N-[(R)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester

Work with Isopropyl ((R)-(perfluorophenoxy)(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

Psi-79761190308-01-045 % similar Sofosbuvir1190307-88-043 % similar Tenofovir alafenamide379270-37-839 % similar Fmoc-D-ala-opfp125043-04-135 % similar Isopropyl benzoate939-48-032 % similar Isopropyl cinnamate7780-06-532 % similar Remdesivir1809249-37-330 % similar Diisopropyl phthalate605-45-830 % similar

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

Same formula

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-8

Elsewhere

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