ChemSpider 2D Image | 4-{(1R,2R)-1-Acetoxy-2-(2-methoxyphenoxy)-3-[(2,3,4-tri-O-acetyl-beta-D-xylopyranosyl)oxy]propyl}-2-methoxyphenyl acetate | C32H38O15

4-{(1R,2R)-1-Acetoxy-2-(2-methoxyphenoxy)-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]propyl}-2-methoxyphenyl acetate

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID8922265

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-{(1R,2R)-1-Acetoxy-2-(2-methoxyphenoxy)-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]propyl}-2-methoxyphenyl acetate [ACD/IUPAC Name]
4-{(1R,2R)-1-Acetoxy-2-(2-methoxyphenoxy)-3-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)oxy]propyl}-2-methoxyphenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 4-{(1R,2R)-1-acétoxy-2-(2-méthoxyphénoxy)-3-[(2,3,4-tri-O-acétyl-β-D-xylopyranosyl)oxy]propyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (2R,3R)-3-(acetyloxy)-3-[4-(acetyloxy)-3-methoxyphenyl]-2-(2-methoxyphenoxy)propyl, triacetate [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: 710.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 291.8±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.54
ACD/KOC (pH 5.5): 1360.29
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.54
ACD/KOC (pH 7.4): 1360.29
Polar Surface Area: 178 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 502.0±5.0 cm3

Click to predict properties on the Chemicalize site


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