2-Ethylbutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate

C21H23F5NO5PCAS 1911578-98-7495.38 g/mol

Open in Covalent MOL file
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Aryl halideEster

Properties

Molecular formula
C21H23F5NO5P
Molar mass
495.38 g/mol
Exact mass
495.1234 Da
logP
5.91Crippen estimate
Polar surface area
73.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
11
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1911578-98-7
SMILES
CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC1=CC=CC=C1)OC2=C(C(=C(C(=C2F)F)F)F)F
InChIKey
NQSOMRSHXPZDCC-ZIROQRTJSA-N
InChI
InChI=1S/C21H23F5NO5P/c1-4-13(5-2)11-30-21(28)12(3)27-33(29,31-14-9-7-6-8-10-14)32-20-18(25)16(23)15(22)17(24)19(20)26/h6-10,12-13H,4-5,11H2,1-3H3,(H,27,29)/t12-,33-/m0/s1

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

Work with 2-Ethylbutyl ((S)-(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

N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)phenoxyphosphinyl]-L-alanine 1-methylethyl ester1334513-02-869 % similar Isopropyl ((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate1337529-56-269 % similar N-[(S)-(4-Nitrophenoxy)phenoxyphosphinyl]-L-alanine 2-ethylbutyl ester1354823-36-167 % similar Remdesivir1809249-37-343 % similar Isopropyl (hydroxy(phenoxy)phosphoryl)-L-alaninate1520010-86-942 % similar Fmoc-D-ala-opfp125043-04-138 % similar Fmoc-ala-opfp86060-86-838 % similar Psi-79761190308-01-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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