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Search term: NUVQPPMIUWQCQF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2,5:3,6-Dianhydro-4-O-benzyl-1-C-phenyl-L-threo-hexitol | C19H20O4

2,5:3,6-Dianhydro-4-O-benzyl-1-C-phenyl-L-threo-hexitol

  • Molecular FormulaC19H20O4
  • Average mass312.360 Da
  • Monoisotopic mass312.136169 Da
  • ChemSpider ID30651413

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2,5:3,6-Dianhydro-4-O-benzyl-1-C-phenyl-L-threo-hexitol [German] [ACD/IUPAC Name]
2,5:3,6-Dianhydro-4-O-benzyl-1-C-phenyl-L-threo-hexitol [ACD/IUPAC Name]
2,5:3,6-Dianhydro-4-O-benzyl-1-C-phényl-L-thréo-hexitol [French] [ACD/IUPAC Name]
L-threo-Hexitol, 2,5:3,6-dianhydro-1-C-phenyl-4-O-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.7±27.3 °C
Index of Refraction: 1.620
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.41
ACD/KOC (pH 5.5): 874.72
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.41
ACD/KOC (pH 7.4): 874.72
Polar Surface Area: 48 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 246.2±5.0 cm3

Click to predict properties on the Chemicalize site


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