Found 44 results

Search term: C36H54O12 (Found by molecular formula)
ChemSpider 2D Image | (2E)-6-({3,4-Bis-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-beta-D-glucopyranosyl}oxy)-2,6-dimethyl-2,7-octadienoic acid | C36H54O12

(2E)-6-({3,4-Bis-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranosyl}oxy)-2,6-dimethyl-2,7-octadienoic acid

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID22913529

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

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

(2E)-6-({3,4-Bis-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranosyl}oxy)-2,6-dimethyl-2,7-octadienoic acid [ACD/IUPAC Name]
(2E)-6-({3,4-Bis-O-[(2E)-6-hydroxy-2,6-dimethyl-2,7-octadienoyl]-β-D-glucopyranosyl}oxy)-2,6-dimethyl-2,7-octadiensäure [German] [ACD/IUPAC Name]
2,7-Octadienoic acid, 6-[[3,4-bis-O-[(2E)-6-hydroxy-2,6-dimethyl-1-oxo-2,7-octadien-1-yl]-β-D-glucopyranosyl]oxy]-2,6-dimethyl-, (2E)- [ACD/Index Name]
Acide (2E)-6-({3,4-bis-O-[(2E)-6-hydroxy-2,6-diméthyl-2,7-octadienoyl]-β-D-glucopyranosyl}oxy)-2,6-diméthyl-2,7-octadiénoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 786.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.4±6.0 kJ/mol
Flash Point: 234.0±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 4
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 958.84
ACD/KOC (pH 5.5): 3141.29
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 53.82
Polar Surface Area: 189 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 566.8±5.0 cm3

Click to predict properties on the Chemicalize site


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