ChemSpider 2D Image | 1-Ethoxyvinyl 2-[(1E,4R,6S,8S)-4,11-bis(benzyloxy)-6,8-dihydroxy-1-undecen-1-yl]-6-methoxybenzoate | C37H46O8

1-Ethoxyvinyl 2-[(1E,4R,6S,8S)-4,11-bis(benzyloxy)-6,8-dihydroxy-1-undecen-1-yl]-6-methoxybenzoate

  • Molecular FormulaC37H46O8
  • Average mass618.756 Da
  • Monoisotopic mass618.319275 Da
  • ChemSpider ID9414002

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-Ethoxyvinyl 2-[(1E,4R,6S,8S)-4,11-bis(benzyloxy)-6,8-dihydroxy-1-undecen-1-yl]-6-methoxybenzoate [ACD/IUPAC Name]
1-Ethoxyvinyl-2-[(1E,4R,6S,8S)-4,11-bis(benzyloxy)-6,8-dihydroxy-1-undecen-1-yl]-6-methoxybenzoat [German] [ACD/IUPAC Name]
2-[(1E,4R,6S,8S)-4,11-Bis(benzyloxy)-6,8-dihydroxy-1-undécén-1-yl]-6-méthoxybenzoate de 1-éthoxyvinyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1E,4R,6S,8S)-6,8-dihydroxy-4,11-bis(phenylmethoxy)-1-undecen-1-yl]-6-methoxy-, 1-ethoxyethenyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 755.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.5±3.0 kJ/mol
Flash Point: 230.0±26.4 °C
Index of Refraction: 1.574
Molar Refractivity: 177.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.26
ACD/BCF (pH 5.5): 33641.40
ACD/KOC (pH 5.5): 60523.00
ACD/LogD (pH 7.4): 6.26
ACD/BCF (pH 7.4): 33641.40
ACD/KOC (pH 7.4): 60523.00
Polar Surface Area: 104 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 538.4±3.0 cm3

Click to predict properties on the Chemicalize site


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