ChemSpider 2D Image | (2xi)-1-Deoxy-D-threo-pentitol | C5H12O4

(2ξ)-1-Deoxy-D-threo-pentitol

  • Molecular FormulaC5H12O4
  • Average mass136.146 Da
  • Monoisotopic mass136.073563 Da
  • ChemSpider ID110566503
  • defined stereocentres - 2 of 3 defined stereocentres


More details:






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

(2ξ)-1-Deoxy-D-threo-pentitol [ACD/IUPAC Name]
(2ξ)-1-Desoxy-D-threo-pentitol [German] [ACD/IUPAC Name]
(2ξ)-1-Désoxy-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1-deoxy-, (2ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 368.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.1±6.0 kJ/mol
Flash Point: 193.0±21.1 °C
Index of Refraction: 1.523
Molar Refractivity: 31.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.65
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.95
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 81 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 102.2±3.0 cm3

Click to predict properties on the Chemicalize site






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