ChemSpider 2D Image | 3-[(3R,11R)-3,7-Dihydroxy-3,7,11,15-tetramethylhexadecyl]-4-hydroxy-2,5,6-trimethylphenyl beta-D-xylopyranoside | C34H60O8

3-[(3R,11R)-3,7-Dihydroxy-3,7,11,15-tetramethylhexadecyl]-4-hydroxy-2,5,6-trimethylphenyl β-D-xylopyranoside

  • Molecular FormulaC34H60O8
  • Average mass596.835 Da
  • Monoisotopic mass596.428833 Da
  • ChemSpider ID40256893

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

3-[(3R,11R)-3,7-Dihydroxy-3,7,11,15-tetramethylhexadecyl]-4-hydroxy-2,5,6-trimethylphenyl β-D-xylopyranoside [ACD/IUPAC Name]
3-[(3R,11R)-3,7-Dihydroxy-3,7,11,15-tetramethylhexadecyl]-4-hydroxy-2,5,6-trimethylphenyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de 3-[(3R,11R)-3,7-dihydroxy-3,7,11,15-tétraméthylhexadécyl]-4-hydroxy-2,5,6-triméthylphényle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, 3-[(3R,11R)-3,7-dihydroxy-3,7,11,15-tetramethylhexadecyl]-4-hydroxy-2,5,6-trimethylphenyl [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.8±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 167.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 5.90
ACD/BCF (pH 5.5): 18001.56
ACD/KOC (pH 5.5): 38684.53
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17996.73
ACD/KOC (pH 7.4): 38674.16
Polar Surface Area: 140 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement