ChemSpider 2D Image | 2-(2-{2-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienoate | C27H44O9

2-(2-{2-[(6-Deoxy-α-L-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienoate

  • Molecular FormulaC27H44O9
  • Average mass512.633 Da
  • Monoisotopic mass512.298523 Da
  • ChemSpider ID9641243

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E,4E)-3-Méthyl-5-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4-pentadiénoate de 2-(2-{2-[(6-désoxy-α-L-mannopyranosyl)oxy]éthoxy}éthoxy)éthyle [French] [ACD/IUPAC Name]
2-(2-{2-[(6-Deoxy-α-L-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienoate [ACD/IUPAC Name]
2-(2-{2-[(6-Desoxy-α-L-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl-(2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4-pentadienoat [German] [ACD/IUPAC Name]
2,4-Pentadienoic acid, 3-methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2-[2-[2-[(6-deoxy-α-L-mannopyranosyl)oxy]ethoxy]ethoxy]ethyl ester, (2E,4E)- [ACD/Index 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: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 203.1±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 886.03
ACD/KOC (pH 5.5): 4481.10
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 886.03
ACD/KOC (pH 7.4): 4481.08
Polar Surface Area: 124 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site


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