ChemSpider 2D Image | 6-[(3S,4R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid | C12H23NO6

6-[(3S,4R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid

  • Molecular FormulaC12H23NO6
  • Average mass277.314 Da
  • Monoisotopic mass277.152527 Da
  • ChemSpider ID28467843

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-Piperidinehexanoic acid, 3,4,5-trihydroxy-2-(hydroxymethyl)-, (3S,4R)- [ACD/Index Name]
6-[(3S,4R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexanoic acid [ACD/IUPAC Name]
6-[(3S,4R)-3,4,5-Trihydroxy-2-(hydroxymethyl)-1-piperidinyl]hexansäure [German] [ACD/IUPAC Name]
Acide 6-[(3S,4R)-3,4,5-trihydroxy-2-(hydroxyméthyl)-1-pipéridinyl]hexanoïque [French] [ACD/IUPAC Name]
1240479-07-5 [RN]
6-[(3S,4R)-3,4,5-Trihydroxy-2-(hydroxymethyl)piperidin-1-yl]hexanoic acid
N-5-Carboxypentyl-1-deoxygalactonojirimycin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 534.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 205.3±3.0 cm3

Click to predict properties on the Chemicalize site


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