ChemSpider 2D Image | 4-{(3S)-7-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-hydroxyheptyl}-2-hydroxyphenyl beta-D-glucopyranoside | C31H44O15

4-{(3S)-7-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-hydroxyheptyl}-2-hydroxyphenyl β-D-glucopyranoside

  • Molecular FormulaC31H44O15
  • Average mass656.672 Da
  • Monoisotopic mass656.268005 Da
  • ChemSpider ID28661815

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

4-{(3S)-7-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-hydroxyheptyl}-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{(3S)-7-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-hydroxyheptyl}-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{(3S)-7-[4-(β-D-glucopyranosyloxy)-3-hydroxyphényl]-3-hydroxyheptyl}-2-hydroxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(3S)-7-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-3-hydroxyheptyl]-2-hydroxyphenyl [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 965.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.3±3.0 kJ/mol
Flash Point: 537.7±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 160.1±0.3 cm3
#H bond acceptors: 15
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.46
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 259 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

Click to predict properties on the Chemicalize site


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