ChemSpider 2D Image | (4R,5R,6r,7S,8S)-1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol | C7H12O6

(4R,5R,6r,7S,8S)-1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol

  • Molecular FormulaC7H12O6
  • Average mass192.167 Da
  • Monoisotopic mass192.063385 Da
  • ChemSpider ID110556008

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(4R,5R,6r,7S,8S)-1-Oxaspiro[2.5]octan-4,5,6,7,8-pentol [German] [ACD/IUPAC Name]
(4R,5R,6r,7S,8S)-1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol [ACD/IUPAC Name]
(4R,5R,6r,7S,8S)-1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol [French] [ACD/IUPAC Name]
1-Oxaspiro[2.5]octane-4,5,6,7,8-pentol, (4R,5R,7S,8S)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 408.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.4±6.0 kJ/mol
Flash Point: 201.1±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 39.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.45
ACD/LogD (pH 7.4): -1.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.45
Polar Surface Area: 114 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 114.4±5.0 dyne/cm
Molar Volume: 104.8±5.0 cm3

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