ChemSpider 2D Image | (1S)-1,5-Anhydro-1-[4-chloro-2-methyl-5-(4-propylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-D-mannitol | C25H31ClO6

(1S)-1,5-Anhydro-1-[4-chloro-2-methyl-5-(4-propylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-D-mannitol

  • Molecular FormulaC25H31ClO6
  • Average mass462.963 Da
  • Monoisotopic mass462.180908 Da
  • ChemSpider ID129135168

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-[4-chlor-2-methyl-5-(4-propylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-D-mannitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-2-methyl-5-(4-propylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-D-mannitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-[4-chloro-2-méthyl-5-(4-propylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1,5-anhydro-1-C-[4-chloro-2,3-dihydro-2-methyl-5-[(4-propylphenyl)methyl]-7-benzofuranyl]-, (1S)- [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: 635.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.9±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 122.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1753.47
ACD/KOC (pH 5.5): 7304.31
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1753.46
ACD/KOC (pH 7.4): 7304.28
Polar Surface Area: 99 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 352.0±3.0 cm3

Click to predict properties on the Chemicalize site


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