ChemSpider 2D Image | Pinpollitol | C8H16O6

Pinpollitol

  • Molecular FormulaC8H16O6
  • Average mass208.209 Da
  • Monoisotopic mass208.094681 Da
  • ChemSpider ID24764944
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(1R,2R,3R,4S,5R,6S)-3,6-Dimethoxy-1,2,4,5-cyclohexanetetrol [ACD/IUPAC Name]
(1R,2R,3R,4S,5R,6S)-3,6-Diméthoxy-1,2,4,5-cyclohexanetétrol [French] [ACD/IUPAC Name]
(1R,2R,3R,4S,5R,6S)-3,6-Dimethoxy-1,2,4,5-cyclohexantetrol [German] [ACD/IUPAC Name]
1,2,4,5-Cyclohexanetetrol, 3,6-dimethoxy-, (1α,2α,3β,4α,5β,6β)- [ACD/Index Name]
Pinpollitol [Wiki]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 341.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 160.6±27.9 °C
Index of Refraction: 1.537
Molar Refractivity: 46.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.74
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.74
Polar Surface Area: 99 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 148.9±5.0 cm3

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