ChemSpider 2D Image | 1-O-{(2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0~1,7~]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoyl}-beta-D-glucopyranose | C26H36O10

1-O-{(2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoyl}-β-D-glucopyranose

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID17342689

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

1-O-{(2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoyl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(2E,4E)-5-[(1R,7S,8R,9R)-7-Hydroxy-4,9-diméthyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridéc-3-én-9-yl]-2-méthyl-2,4-pentadienoyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
1-O-{(2E,4E)-5-[(3R,4R,4aS,9aR)-4a-hydroxy-3,7-dimethyl-1-oxo-3,4,4a,5,6,9-hexahydro-4,9a-ethanocyclohepta[c]pyran-3(1H)-yl]-2-methylpenta-2,4-dienoyl}-β-D-glucopyranose
β-D-Glucopyranose, 1-O-[(2E,4E)-5-[(3R,4R,4aS,9aR)-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-1-oxo-2,4-pentadien-1-yl]- [ACD/Index Name]
deacetylpseudolaric acid A O-β-d-glucopyranoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 242.8±26.4 °C
Index of Refraction: 1.616
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.74
ACD/KOC (pH 5.5): 136.31
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 7.4): 136.31
Polar Surface Area: 163 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 362.2±5.0 cm3

Click to predict properties on the Chemicalize site


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