ChemSpider 2D Image | (1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[4-chloro-3-(4-methoxybenzyl)phenyl]-D-glucitol | C28H31ClO10

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[4-chloro-3-(4-methoxybenzyl)phenyl]-D-glucitol

  • Molecular FormulaC28H31ClO10
  • Average mass562.993 Da
  • Monoisotopic mass562.160583 Da
  • ChemSpider ID58791803

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[4-chlor-3-(4-methoxybenzyl)phenyl]-D-glucitol [German] [ACD/IUPAC Name]
(1S)-2,3,4,6-Tetra-O-acetyl-1,5-anhydro-1-[4-chloro-3-(4-methoxybenzyl)phenyl]-D-glucitol [ACD/IUPAC Name]
(1S)-2,3,4,6-Tétra-O-acétyl-1,5-anhydro-1-[4-chloro-3-(4-méthoxybenzyl)phényl]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-methoxyphenyl)methyl]phenyl]-, tetraacetate, (1S)- [ACD/Index Name]
(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-methoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
872980-38-6 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 182.1±30.5 °C
Index of Refraction: 1.564
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5462.35
ACD/KOC (pH 5.5): 16474.35
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5462.35
ACD/KOC (pH 7.4): 16474.35
Polar Surface Area: 124 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 428.0±5.0 cm3

Click to predict properties on the Chemicalize site


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