ChemSpider 2D Image | (4S,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinone | C6H11NO5

(4S,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinone

  • Molecular FormulaC6H11NO5
  • Average mass177.155 Da
  • Monoisotopic mass177.063721 Da
  • ChemSpider ID58783524

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4S,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinon [German] [ACD/IUPAC Name]
(4S,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinone [ACD/IUPAC Name]
(4S,5R)-3,4,5-Trihydroxy-6-(hydroxyméthyl)-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 3,4,5-trihydroxy-6-(hydroxymethyl)-, (4S,5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 500.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 256.6±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 37.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -2.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 110 Å2
Polarizability: 14.9±0.5 10-24cm3
Surface Tension: 89.8±3.0 dyne/cm
Molar Volume: 108.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement