ChemSpider 2D Image | (4xi)-3,4-Di-O-acetyl-1,5-anhydro-2-deoxy-D-glycero-pent-1-enitol | C9H12O5

(4ξ)-3,4-Di-O-acetyl-1,5-anhydro-2-deoxy-D-glycero-pent-1-enitol

  • Molecular FormulaC9H12O5
  • Average mass200.189 Da
  • Monoisotopic mass200.068466 Da
  • ChemSpider ID75575579

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4ξ)-3,4-Di-O-acetyl-1,5-anhydro-2-deoxy-D-glycero-pent-1-enitol [ACD/IUPAC Name]
(4ξ)-3,4-Di-O-acetyl-1,5-anhydro-2-desoxy-D-glycero-pent-1-enitol [German] [ACD/IUPAC Name]
(4ξ)-3,4-Di-O-acétyl-1,5-anhydro-2-désoxy-D-glycéro-pent-1-énitol [French] [ACD/IUPAC Name]
D-glycero-Pent-1-enitol, 1,5-anhydro-2-deoxy-, diacetate, (4ξ)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 266.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 112.7±27.4 °C
Index of Refraction: 1.476
Molar Refractivity: 47.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.20
ACD/KOC (pH 5.5): 39.75
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 39.75
Polar Surface Area: 62 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 166.5±5.0 cm3

Click to predict properties on the Chemicalize site


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