ChemSpider 2D Image | (1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(1,1-~2~H_2_)ethyloxy]benzyl}phenyl)-D-glucitol | C21H23D2ClO6

(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(1,1-2H2)ethyloxy]benzyl}phenyl)-D-glucitol

  • Molecular FormulaC21H23D2ClO6
  • Average mass410.885 Da
  • Monoisotopic mass410.146515 Da
  • ChemSpider ID31129673

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1S)-1,5-Anhydro-1-(4-chlor-3-{4-[(1,1-2H2)ethyloxy]benzyl}phenyl)-D-glucitol [German] [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(1,1-2H2)ethyloxy]benzyl}phenyl)-D-glucitol [ACD/IUPAC Name]
(1S)-1,5-Anhydro-1-(4-chloro-3-{4-[(1,1-2H2)éthyloxy]benzyl}phényl)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[[4-(ethyl-1,1-d2-oxy)phenyl]methyl]phenyl]-, (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: 609.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.99
ACD/KOC (pH 5.5): 530.76
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.99
ACD/KOC (pH 7.4): 530.76
Polar Surface Area: 99 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

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