ChemSpider 2D Image | 2,6-Anhydro-1,3-di-O-benzyl-5-deoxy-5-formyl-D-xylo-hex-5-enitol | C21H22O5

2,6-Anhydro-1,3-di-O-benzyl-5-deoxy-5-formyl-D-xylo-hex-5-enitol

  • Molecular FormulaC21H22O5
  • Average mass354.396 Da
  • Monoisotopic mass354.146729 Da
  • ChemSpider ID30658999

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,6-Anhydro-1,3-di-O-benzyl-5-deoxy-5-formyl-D-xylo-hex-5-enitol [ACD/IUPAC Name]
2,6-Anhydro-1,3-di-O-benzyl-5-desoxy-5-formyl-D-xylo-hex-5-enitol [German] [ACD/IUPAC Name]
2,6-Anhydro-1,3-di-O-benzyl-5-désoxy-5-formyl-D-xylo-hex-5-énitol [French] [ACD/IUPAC Name]
D-xylo-Hex-5-enitol, 2,6-anhydro-5-deoxy-5-formyl-1,3-bis-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 514.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 179.7±23.6 °C
Index of Refraction: 1.599
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.41
ACD/KOC (pH 5.5): 1035.30
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.41
ACD/KOC (pH 7.4): 1035.28
Polar Surface Area: 65 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 286.3±5.0 cm3

Click to predict properties on the Chemicalize site


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