ChemSpider 2D Image | (6S,7S,8S,8aR)-7,8-Dihydroxy-8,8a-dimethoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-6-yl palmitate | C31H50O9

(6S,7S,8S,8aR)-7,8-Dihydroxy-8,8a-dimethoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-6-yl palmitate

  • Molecular FormulaC31H50O9
  • Average mass566.723 Da
  • Monoisotopic mass566.345459 Da
  • ChemSpider ID8456829

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(6S,7S,8S,8aR)-7,8-Dihydroxy-8,8a-dimethoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-6-yl palmitate [ACD/IUPAC Name]
(6S,7S,8S,8aR)-7,8-Dihydroxy-8,8a-dimethoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-6-ylpalmitat [German] [ACD/IUPAC Name]
Palmitate de (6S,7S,8S,8aR)-7,8-dihydroxy-8,8a-diméthoxy-2-phénylhexahydropyrano[3,2-d][1,3]dioxin-6-yle [French] [ACD/IUPAC 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: 645.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 196.5±25.0 °C
Index of Refraction: 1.533
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 13.86
ACD/LogD (pH 5.5): 11.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 113 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 490.1±5.0 cm3

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