(2S,3R,4S)-4-Hydroxyisoleucine

C₆H₁₃NO₃CAS 55399-93-4147.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₃NO₃
Molar mass: 147.17 g/mol
Exact mass: 147.0895 Da
Melting point: 220–225 °C
logP: -0.58Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3
Stereocentres: R, S, Sin SMILES atom order

Identifiers

CAS number

55399-93-4

SMILES

C[C@@H]([C@H](C)O)[C@H](N)C(=O)O

InChIKey

OSCCDBFHNMXNME-YUPRTTJUSA-N

InChI

InChI=1S/C6H13NO3/c1-3(4(2)8)5(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t3-,4-,5-/m0/s1

Weigh it out

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

Names and synonyms

3 names

L-Ribonic acid, 2-amino-2,3,5-trideoxy-3-methyl-
2-Amino-2,3,5-trideoxy-3-methyl-L-ribonic acid
(4S)-4-Hydroxy-L-isoleucine

Work with (2S,3R,4S)-4-Hydroxyisoleucine

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

(2S,3R)-(+)-2-Amino-3-hydroxy-4-methylpentanoic acid10148-71-7

Elsewhere

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