ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(3-oxetanyl)ethoxy]benzyl}phenyl)-D-glucitol | C24H29ClO7

(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(3-oxetanyl)ethoxy]benzyl}phenyl)-D-glucitol

  • Molecular FormulaC24H29ClO7
  • Average mass464.936 Da
  • Monoisotopic mass464.160187 Da
  • ChemSpider ID58859934

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1,5-Anhydro-1-(4-chlor-3-{4-[2-(3-oxetanyl)ethoxy]benzyl}phenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(3-oxetanyl)ethoxy]benzyl}phenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[2-(3-oxétanyl)éthoxy]benzyl}phényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-[2-(3-oxetanyl)ethoxy]phenyl]methyl]phenyl]-, (1S)- [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: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 119.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.24
ACD/KOC (pH 5.5): 730.10
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.24
ACD/KOC (pH 7.4): 730.09
Polar Surface Area: 109 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

Click to predict properties on the Chemicalize site


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