ChemSpider 2D Image | (4S,5R,8R,9S,10R)-8,9,10-Trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-one | C14H16O7

(4S,5R,8R,9S,10R)-8,9,10-Trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-one

  • Molecular FormulaC14H16O7
  • Average mass296.273 Da
  • Monoisotopic mass296.089600 Da
  • ChemSpider ID24776183

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4S,5R,8R,9S,10R)-8,9,10-Trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-on [German] [ACD/IUPAC Name]
(4S,5R,8R,9S,10R)-8,9,10-Trihydroxy-4-(4-hydroxyphenyl)-1,6-dioxaspiro[4.5]decan-2-one [ACD/IUPAC Name]
(4S,5R,8R,9S,10R)-8,9,10-Trihydroxy-4-(4-hydroxyphényl)-1,6-dioxaspiro[4.5]décan-2-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 605.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 233.2±25.0 °C
Index of Refraction: 1.671
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 21.13
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.05
Polar Surface Area: 116 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 86.3±5.0 dyne/cm
Molar Volume: 185.5±5.0 cm3

Click to predict properties on the Chemicalize site


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