ChemSpider 2D Image | (5xi)-1,5-Anhydro-4,6-O-benzylidene-2-deoxy-D-erythro-hex-1-enitol | C13H14O4

(5ξ)-1,5-Anhydro-4,6-O-benzylidene-2-deoxy-D-erythro-hex-1-enitol

  • Molecular FormulaC13H14O4
  • Average mass234.248 Da
  • Monoisotopic mass234.089203 Da
  • ChemSpider ID71116214

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5ξ)-1,5-Anhydro-4,6-O-benzyliden-2-desoxy-D-erythro-hex-1-enitol [German] [ACD/IUPAC Name]
(5ξ)-1,5-Anhydro-4,6-O-benzylidene-2-deoxy-D-erythro-hex-1-enitol [ACD/IUPAC Name]
(5ξ)-1,5-Anhydro-4,6-O-benzylidène-2-désoxy-D-érythro-hex-1-énitol [French] [ACD/IUPAC Name]
D-erythro-Hex-1-enitol, 1,5-anhydro-2-deoxy-4,6-O-(phenylmethylene)-, (5ξ)- [ACD/Index Name]
4,6-O-BENZYLIDENE-D-GLUCAL

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

63598-36-7,14125-70-3 [DBID]
63598-36-714125-70-3 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 208.3±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 60.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 175.10
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.56
ACD/KOC (pH 7.4): 175.09
Polar Surface Area: 48 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 186.0±3.0 cm3

Click to predict properties on the Chemicalize site


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