ChemSpider 2D Image | Methyl (5R)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-beta-L-xylopyranoside | C21H25ClO5S

Methyl (5R)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-β-L-xylopyranoside

  • Molecular FormulaC21H25ClO5S
  • Average mass424.938 Da
  • Monoisotopic mass424.111115 Da
  • ChemSpider ID114391524

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(5R)-5-[4-Chloro-3-(4-éthoxybenzyl)phényl]-1-thio-β-L-xylopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl (5R)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-thio-β-L-xylopyranoside [ACD/IUPAC Name]
Methyl-(5R)-5-[4-chlor-3-(4-ethoxybenzyl)phenyl]-1-thio-β-L-xylopyranosid [German] [ACD/IUPAC Name]
β-L-Xylopyranoside, methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-thio-, (5R)- [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: 607.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.4±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 111.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1036.45
ACD/KOC (pH 5.5): 5013.38
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1036.44
ACD/KOC (pH 7.4): 5013.33
Polar Surface Area: 104 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 309.7±5.0 cm3

Click to predict properties on the Chemicalize site


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