ChemSpider 2D Image | (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid | C9H16N2O5

(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid

  • Molecular FormulaC9H16N2O5
  • Average mass232.234 Da
  • Monoisotopic mass232.105927 Da
  • ChemSpider ID25058696
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3R)-2-[(3S,6R)-3-Amino-6-hydroxy-2-oxo-1-piperidinyl]-3-hydroxybutanoic acid [ACD/IUPAC Name]
(2S,3R)-2-[(3S,6R)-3-Amino-6-hydroxy-2-oxo-1-piperidinyl]-3-hydroxybutansäure [German] [ACD/IUPAC Name]
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidinyl]-3-hydroxybutanoic acid
1-Piperidineacetic acid, 3-amino-6-hydroxy-α-[(1R)-1-hydroxyethyl]-2-oxo-, (αS,3S,6R)- [ACD/Index Name]
Acide (2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxo-1-pipéridinyl]-3-hydroxybutanoïque [French] [ACD/IUPAC Name]
(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
(2S,3R)-2-[(3S,6R)-3-amino-6-hydroxy-2-oxopiperidin-1-yl]-3-hydroxybutanoic acid
  • Miscellaneous
    • Chemical Class:

      A piperidone that consists of 3-hydroxybutanoic acid substituted at position 2 by a 3-amino-6-hydroxy-2-oxopiperidin1-yl group. ChEBI CHEBI:45661

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 53.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -4.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 159.7±3.0 cm3

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