ChemSpider 2D Image | Methyl (5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-xylopyranoside | C21H25ClO6

Methyl (5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-xylopyranoside

  • Molecular FormulaC21H25ClO6
  • Average mass408.873 Da
  • Monoisotopic mass408.133972 Da
  • ChemSpider ID24632263

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(5S)-5-[4-Chloro-3-(4-éthoxybenzyl)phényl]-L-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
L-Xylopyranoside, methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (5S)- [ACD/Index Name]
Methyl (5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-L-xylopyranoside [ACD/IUPAC Name]
Methyl-(5S)-5-[4-chlor-3-(4-ethoxybenzyl)phenyl]-L-xylopyranosid [German] [ACD/IUPAC 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: 576.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 349.40
ACD/KOC (pH 5.5): 2302.04
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 349.39
ACD/KOC (pH 7.4): 2302.02
Polar Surface Area: 88 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 301.9±5.0 cm3

Click to predict properties on the Chemicalize site


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