ChemSpider 2D Image | (1S,4S,5S,6S)-2,7-Dioxabicyclo[2.2.1]heptane-5,6-diol (non-preferred name) | C5H8O4

(1S,4S,5S,6S)-2,7-Dioxabicyclo[2.2.1]heptane-5,6-diol (non-preferred name)

  • Molecular FormulaC5H8O4
  • Average mass132.115 Da
  • Monoisotopic mass132.042252 Da
  • ChemSpider ID34977454

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4S,5S,6S)-2,7-Dioxabicyclo[2.2.1]heptan-5,6-diol (non-preferred name) [German] [ACD/IUPAC Name]
(1S,4S,5S,6S)-2,7-Dioxabicyclo[2.2.1]heptane-5,6-diol (non-preferred name) [ACD/IUPAC Name]
(1S,4S,5S,6S)-2,7-Dioxabicyclo[2.2.1]heptane-5,6-diol (non-preferred name) [French] [ACD/IUPAC Name]
1,5-Anhydro-β-D-xylofuranose,4-Anhydro-α-D-xylopyranose
51246-91-4 [RN]
Xylosan [Wiki]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 318.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 65.0±6.0 kJ/mol
Flash Point: 146.6±26.5 °C
Index of Refraction: 1.592
Molar Refractivity: 27.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.93
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.93
Polar Surface Area: 59 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 81.3±3.0 cm3

Click to predict properties on the Chemicalize site


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