ChemSpider 2D Image | (1S,3R,4S,5R,6R)-5-(Benzyloxy)-3-[(benzyloxy)methyl]-7,7-dichloro-2-oxabicyclo[4.1.0]heptan-4-ol | C21H22Cl2O4

(1S,3R,4S,5R,6R)-5-(Benzyloxy)-3-[(benzyloxy)methyl]-7,7-dichloro-2-oxabicyclo[4.1.0]heptan-4-ol

  • Molecular FormulaC21H22Cl2O4
  • Average mass409.303 Da
  • Monoisotopic mass408.089508 Da
  • ChemSpider ID30657154

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,4S,5R,6R)-5-(Benzyloxy)-3-[(benzyloxy)methyl]-7,7-dichlor-2-oxabicyclo[4.1.0]heptan-4-ol [German] [ACD/IUPAC Name]
(1S,3R,4S,5R,6R)-5-(Benzyloxy)-3-[(benzyloxy)methyl]-7,7-dichloro-2-oxabicyclo[4.1.0]heptan-4-ol [ACD/IUPAC Name]
(1S,3R,4S,5R,6R)-5-(Benzyloxy)-3-[(benzyloxy)méthyl]-7,7-dichloro-2-oxabicyclo[4.1.0]heptan-4-ol [French] [ACD/IUPAC Name]
2-Oxabicyclo[4.1.0]heptan-4-ol, 7,7-dichloro-5-(phenylmethoxy)-3-[(phenylmethoxy)methyl]-, (1S,3R,4S,5R,6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1599.77
ACD/KOC (pH 5.5): 6840.09
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1599.76
ACD/KOC (pH 7.4): 6840.06
Polar Surface Area: 48 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 301.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement