ChemSpider 2D Image | (1R,3S,4S,4aS,5aS,9aS,10aR)-4-(Benzyloxy)-1-[(benzyloxy)methyl]-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxine | C29H38O8

(1R,3S,4S,4aS,5aS,9aS,10aR)-4-(Benzyloxy)-1-[(benzyloxy)methyl]-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxine

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID10237306

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3S,4S,4aS,5aS,9aS,10aR)-4-(Benzyloxy)-1-[(benzyloxy)methyl]-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxin [German] [ACD/IUPAC Name]
(1R,3S,4S,4aS,5aS,9aS,10aR)-4-(Benzyloxy)-1-[(benzyloxy)methyl]-3,5a,9a-trimethoxydecahydro-1H-pyrano[3,4-b][1,4]benzodioxine [ACD/IUPAC Name]
(1R,3S,4S,4aS,5aS,9aS,10aR)-4-(Benzyloxy)-1-[(benzyloxy)méthyl]-3,5a,9a-triméthoxydécahydro-1H-pyrano[3,4-b][1,4]benzodioxine [French] [ACD/IUPAC Name]
1H-Pyrano[3,4-b][1,4]benzodioxin, decahydro-3,5a,9a-trimethoxy-4-(phenylmethoxy)-1-[(phenylmethoxy)methyl]-, (1R,3S,4S,4aS,5aS,9aS,10aR)- [ACD/Index Name]
(1S,3R,4R,6S,7S,8S,10S)-7-(benzyloxy)-4-[(benzyloxy)methyl]-1,6,10-trimethoxy-2,5,9-trioxatricyclo[8.4.0.03,?]tetradecane
163125-46-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 231.2±31.4 °C
Index of Refraction: 1.567
Molar Refractivity: 137.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46184.06
ACD/KOC (pH 5.5): 75932.19
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46184.06
ACD/KOC (pH 7.4): 75932.19
Polar Surface Area: 74 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 422.3±5.0 cm3

Click to predict properties on the Chemicalize site


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