ChemSpider 2D Image | 4-{7-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-oxoheptyl}-2-hydroxyphenyl beta-D-glucopyranoside | C31H42O15

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

  • Molecular FormulaC31H42O15
  • Average mass654.656 Da
  • Monoisotopic mass654.252380 Da
  • ChemSpider ID28662420

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-Heptanone, 1,7-bis[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]- [ACD/Index Name]
4-{7-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-oxoheptyl}-2-hydroxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
4-{7-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]-3-oxoheptyl}-2-hydroxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 4-{7-[4-(β-D-glucopyranosyloxy)-3-hydroxyphényl]-3-oxoheptyl}-2-hydroxyphényle [French] [ACD/IUPAC 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: 969.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.9±3.0 kJ/mol
Flash Point: 309.2±27.8 °C
Index of Refraction: 1.653
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 15
#H bond donors: 10
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.92
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 256 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 73.5±3.0 dyne/cm
Molar Volume: 433.6±3.0 cm3

Click to predict properties on the Chemicalize site


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