ChemSpider 2D Image | 2,5-Dideoxy-5-phenyl-D-erythro-pentitol | C11H16O3

2,5-Dideoxy-5-phenyl-D-erythro-pentitol

  • Molecular FormulaC11H16O3
  • Average mass196.243 Da
  • Monoisotopic mass196.109940 Da
  • ChemSpider ID58109013

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Dideoxy-5-phenyl-D-erythro-pentitol [ACD/IUPAC Name]
2,5-Didesoxy-5-phenyl-D-erythro-pentitol [German] [ACD/IUPAC Name]
2,5-Didésoxy-5-phényl-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 2,5-dideoxy-5-phenyl- [ACD/Index Name]
(3S,4R)-5-phenylpentane-1,3,4-triol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 400.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 198.4±21.9 °C
Index of Refraction: 1.571
Molar Refractivity: 54.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.86
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.86
Polar Surface Area: 61 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 165.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement