(2R,3S)-3-Phenylisoserine hydrochloride

C₉H₁₂ClNO₃CAS 132201-32-2217.65 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₁₂ClNO₃
Molar mass: 217.65 g/mol
Exact mass: 217.0506 Da
Melting point: 222–224 °C (decomposes)
logP: 0.55Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: S, Rin SMILES atom order

Identifiers

CAS number

132201-32-2

SMILES

Cl.N[C@@H](c1ccccc1)[C@@H](O)C(=O)O

InChIKey

OTJZSGZNPDLQAJ-KZYPOYLOSA-N

InChI

InChI=1S/C9H11NO3.ClH/c10-7(8(11)9(12)13)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H/t7-,8+;/m0./s1

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

Names and synonyms

3 names

Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride (1:1), (αR,βS)-
Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride, [R-(R*,S*)]-
Benzenepropanoic acid, β-amino-α-hydroxy-, hydrochloride, (αR,βS)-

Work with (2R,3S)-3-Phenylisoserine hydrochloride

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

Same formula

Tyrosine hydrochloride16870-43-2 α-Methylamino-3′,4′-dihydroxyacetophenone hydrochloride62-13-5

Elsewhere

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