ChemSpider 2D Image | (1S)-6-O-Acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol | C23H27ClO7

(1S)-6-O-Acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol

  • Molecular FormulaC23H27ClO7
  • Average mass450.909 Da
  • Monoisotopic mass450.144531 Da
  • ChemSpider ID62985112

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-6-O-Acetyl-1,5-anhydro-1-[4-chlor-3-(4-ethoxybenzyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-6-O-Acetyl-1,5-anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-6-O-Acétyl-1,5-anhydro-1-[4-chloro-3-(4-éthoxybenzyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, 6-acetate, (1S)- [ACD/Index Name]
[(2R,3S,4R,5R,6S)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-3,4,5-trihydroxyoxan-2-yl]methyl acetate
1632287-34-3 [RN]
Dapagliflozin MonoAcetyl Impurity
missing

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.7±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.84
ACD/KOC (pH 5.5): 1603.57
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.84
ACD/KOC (pH 7.4): 1603.56
Polar Surface Area: 105 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 342.1±3.0 cm3

Click to predict properties on the Chemicalize site


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