ChemSpider 2D Image | (3S,4R,5S,6S)-4,5-Bis(benzyloxy)-3-[(benzyloxy)methyl]-2,7-dioxabicyclo[4.1.0]heptane (non-preferred name) | C27H28O5

(3S,4R,5S,6S)-4,5-Bis(benzyloxy)-3-[(benzyloxy)methyl]-2,7-dioxabicyclo[4.1.0]heptane (non-preferred name)

  • Molecular FormulaC27H28O5
  • Average mass432.508 Da
  • Monoisotopic mass432.193665 Da
  • ChemSpider ID57464895

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3S,4R,5S,6S)-4,5-Bis(benzyloxy)-3-[(benzyloxy)methyl]-2,7-dioxabicyclo[4.1.0]heptan (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4R,5S,6S)-4,5-Bis(benzyloxy)-3-[(benzyloxy)methyl]-2,7-dioxabicyclo[4.1.0]heptane (non-preferred name) [ACD/IUPAC Name]
(3S,4R,5S,6S)-4,5-Bis(benzyloxy)-3-[(benzyloxy)méthyl]-2,7-dioxabicyclo[4.1.0]heptane (non-preferred name) [French] [ACD/IUPAC Name]
1,2-ANHYDRO-3,4,6-TRI-O-BENZYL-SS-MANNOPYRANOSE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 222.9±30.0 °C
Index of Refraction: 1.612
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3650.70
ACD/KOC (pH 5.5): 12346.47
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3650.70
ACD/KOC (pH 7.4): 12346.47
Polar Surface Area: 49 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

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