ChemSpider 2D Image | 2,6:4,5-Dianhydro-1,3-O-benzylidene-D-mannitol | C13H14O4

2,6:4,5-Dianhydro-1,3-O-benzylidene-D-mannitol

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID32780497

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,6:4,5-Dianhydro-1,3-O-benzyliden-D-mannitol [German] [ACD/IUPAC Name]
2,6:4,5-Dianhydro-1,3-O-benzylidene-D-mannitol [ACD/IUPAC Name]
2,6:4,5-Dianhydro-1,3-O-benzylidène-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 2,6:4,5-dianhydro-1,3-O-(phenylmethylene)- [ACD/Index Name]
1,5:2,3-DIANHYDRO-4,6-O-BENZYLIDENE-D-MANNITOL
1,5:2,3-DIANHYDRO-4,6-ORTHO-BENZYLIDENE-D-MANNITOL
109428-29-7 [RN]
2200278-72-2 [RN]
Mannitol,1,5:2,3-dianhydro-4,6-O-benzylidene- (6CI)
Mannitol,1,5:2,3-dianhydro-4,6-O-benzylidene-(6ci)
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 369.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.2±3.0 kJ/mol
Flash Point: 156.9±33.3 °C
Index of Refraction: 1.552
Molar Refractivity: 59.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.63
ACD/KOC (pH 5.5): 536.22
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.63
ACD/KOC (pH 7.4): 536.22
Polar Surface Area: 40 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 185.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement