(2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid

CAS

959582-10-6

Catalog Number

ACM959582106

Category

Main Products

Molecular Weight

349.30

Molecular Formula

C15H18F3NO5

MSDS COA Spec Sheet

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Specification

Synonyms

N-Boc-(2S,3S)-3-Amino-2-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid

Appearance

White powder

What is the molecular formula of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The molecular formula is C15H18F3NO5.

What are the synonyms of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The synonyms are 959582-10-6, N-Boc-(2S,3S)-3-Amino-2-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid, and (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid.

What is the molecular weight of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The molecular weight is 349.30 g/mol.

What is the IUPAC name of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The IUPAC name is (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid.

What is the InChI of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The InChI is InChI=1S/C15H18F3NO5/c1-14(2,3)24-13(23)19-10(11(20)12(21)22)8-4-6-9(7-5-8)15(16,17)18/h4-7,10-11,20H,1-3H3,(H,19,23)(H,21,22)/t10-,11-/m0/s1.

What is the InChIKey of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The InChIKey is BPRVMYAOSPCFJE-QWRGUYRKSA-N.

What is the canonical SMILES of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The canonical SMILES is CC(C)(C)OC(=O)NC(C1=CC=C(C=C1)C(F)(F)F)C(C(=O)O)O.

What is the CAS number of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The CAS number is 959582-10-6.

What is the XLogP3-AA value of (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

The XLogP3-AA value is 2.3.

How many hydrogen bond acceptors are there in (2S,3S)-3-((Tert-Butoxycarbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid?

There are 8 hydrogen bond acceptors in the compound.