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

L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester is a chemical compound registered under number CAS 1334513-02-8, with the molecular formula C₁₈H₁₇F₅NO₅P, and a molar mass of 453.3 g/mol.

The molecule contains 47 atoms connected by 48 chemical bonds. The full systematic IUPAC name of this compound is propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 4.5 (positive value, a lipophilic compound), polar surface area PSA = 73.9 Ų, 1 donors and 11 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C18H17F5NO5P
Masa molowa	453.3 g/mol
IUPAC	propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
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-ZJPIPACBSA-N
logP (XLogP3)	4.5
PSA	73.9 Ų
HBD / HBA	1 / 11
PubChem CID	CID 53476763 ↗

L-Alanine, N-[(S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester · L-Alanine, N-((S)-(2,3,4,5,6-pentafluorophenoxy)phenoxyphosphinyl)-, 1-methylethyl ester · RefChem:794798 · 1334513-02-8 · (S)-isopropyl 2-(((S)-(perfluorophenoxy)(phenoxy)phosphoryl)amino)propanoate · MFCD22665799 · Sofosbuvir Impurity T · isopropyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate · propan-2-yl (2S)-2-{[(S)-pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate · N-[(S)-(2,3,4,5,6-Pentafluorophenoxy)Phenoxyphosphinyl]-L-Alanine 1-Methylethyl Ester · Isopropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxy-phosphoryl]amino]propanoate · Isopropyl((R)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate · SCHEMBL2510990 · propan-2-yl (2S)-2-{[pentafluorophenoxy(phenoxy)phosphoryl]amino}propanoate · MIILDBHEJQLACD-ZJPIPACBSA-N

• 📊 PubChem CID 53476763 — NIH
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