ChemSpider 2D Image | (2S,3S,4aR,5R,7S,8S,8aS)-7-(Allyloxy)-8-(benzyloxy)-5-[(benzyloxy)methyl]-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxine | C29H38O8

(2S,3S,4aR,5R,7S,8S,8aS)-7-(Allyloxy)-8-(benzyloxy)-5-[(benzyloxy)methyl]-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxine

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID8872491

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3S,4aR,5R,7S,8S,8aS)-7-(Allyloxy)-8-(benzyloxy)-5-[(benzyloxy)methyl]-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxin [German] [ACD/IUPAC Name]
(2S,3S,4aR,5R,7S,8S,8aS)-7-(Allyloxy)-8-(benzyloxy)-5-[(benzyloxy)methyl]-2,3-dimethoxy-2,3-dimethylhexahydro-5H-pyrano[3,4-b][1,4]dioxine [ACD/IUPAC Name]
(2S,3S,4aR,5R,7S,8S,8aS)-7-(Allyloxy)-8-(benzyloxy)-5-[(benzyloxy)méthyl]-2,3-diméthoxy-2,3-diméthylhexahydro-5H-pyrano[3,4-b][1,4]dioxine [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: 592.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 226.0±30.0 °C
Index of Refraction: 1.553
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31728.61
ACD/KOC (pH 5.5): 58039.40
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31728.61
ACD/KOC (pH 7.4): 58039.40
Polar Surface Area: 74 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 436.4±5.0 cm3

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