ChemSpider 2D Image | 2-{4-[(2R,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy}ethyl 4-O-D-glucopyranosyl-beta-D-glucopyranoside | C35H52O15

2-{4-[(2R,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy}ethyl 4-O-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC35H52O15
  • Average mass712.778 Da
  • Monoisotopic mass712.330627 Da
  • ChemSpider ID9868050

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

2-{4-[(2R,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy}ethyl 4-O-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-{4-[(2R,3S)-4-(3,4-Dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy}ethyl-4-O-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-D-Glucopyranosyl-β-D-glucopyranoside de 2-{4-[(2R,3S)-4-(3,4-diméthoxyphényl)-2,3-diméthylbutyl]-2-méthoxyphénoxy}éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenoxy]ethyl 4-O-D-glucopyranosyl- [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: 876.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.5±3.0 kJ/mol
Flash Point: 484.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 178.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 5.21
ACD/KOC (pH 5.5): 113.44
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 5.21
ACD/KOC (pH 7.4): 113.44
Polar Surface Area: 215 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 519.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement