ChemSpider 2D Image | (4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[5-(beta-D-glucopyranosyloxy)-3,3'-dihydroxy-2-biphenylyl]carbonyl}-beta-D-glucopyranoside | C35H40O19

(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[5-(β-D-glucopyranosyloxy)-3,3'-dihydroxy-2-biphenylyl]carbonyl}-β-D-glucopyranoside

  • Molecular FormulaC35H40O19
  • Average mass764.681 Da
  • Monoisotopic mass764.216370 Da
  • ChemSpider ID9541151

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl 2-O-{[5-(β-D-glucopyranosyloxy)-3,3'-dihydroxy-2-biphenylyl]carbonyl}-β-D-glucopyranoside [ACD/IUPAC Name]
(4aR,5R,6S)-4a-Hydroxy-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl-2-O-{[5-(β-D-glucopyranosyloxy)-3,3'-dihydroxy-2-biphenylyl]carbonyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-[[2-O-[[5-(β-D-glucopyranosyloxy)-3,3'-dihydroxy[1,1'-biphenyl]-2-yl]carbonyl]-β-D-glucopyranosyl]oxy]-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR,5R,6S)- [ACD/Index Name]
2-O-{[5-(β-D-Glucopyranosyloxy)-3,3'-dihydroxy-2-biphénylyl]carbonyl}-β-D-glucopyranoside de (4aR,5R,6S)-4a-hydroxy-1-oxo-5-vinyl-4,4a,5,6-tétrahydro-1H,3H-pyrano[3,4-c]pyran-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1081.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 166.2±3.0 kJ/mol
Flash Point: 338.0±27.8 °C
Index of Refraction: 1.716
Molar Refractivity: 176.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.45
ACD/LogD (pH 7.4): -0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.64
Polar Surface Area: 301 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 105.9±5.0 dyne/cm
Molar Volume: 449.4±5.0 cm3

Click to predict properties on the Chemicalize site


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