ChemSpider 2D Image | (1R)-1,5-Anhydro-1-[4-chloro-5-(4-cyclopropylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-L-glucitol | C24H27ClO6

(1R)-1,5-Anhydro-1-[4-chloro-5-(4-cyclopropylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-L-glucitol

  • Molecular FormulaC24H27ClO6
  • Average mass446.921 Da
  • Monoisotopic mass446.149628 Da
  • ChemSpider ID76824049

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1,5-Anhydro-1-[4-chlor-5-(4-cyclopropylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-L-glucitol [German] [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[4-chloro-5-(4-cyclopropylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-L-glucitol [ACD/IUPAC Name]
(1R)-1,5-Anhydro-1-[4-chloro-5-(4-cyclopropylbenzyl)-2,3-dihydro-1-benzofuran-7-yl]-L-glucitol [French] [ACD/IUPAC Name]
L-Glucitol, 1,5-anhydro-1-C-[4-chloro-5-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-7-benzofuranyl]-, (1R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.0±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 115.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.05
ACD/KOC (pH 5.5): 3410.43
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.05
ACD/KOC (pH 7.4): 3410.42
Polar Surface Area: 99 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 65.4±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

Click to predict properties on the Chemicalize site


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