ChemSpider 2D Image | Methyl (3-hydroxy-2-{(3aS,5R,6R,6aS)-5-(tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}propoxy)acetate | C32H52O8

Methyl (3-hydroxy-2-{(3aS,5R,6R,6aS)-5-(tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}propoxy)acetate

  • Molecular FormulaC32H52O8
  • Average mass564.750 Da
  • Monoisotopic mass564.366211 Da
  • ChemSpider ID8613308

  • 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

(3-Hydroxy-2-{(3aS,5R,6R,6aS)-5-(tétrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tétrahydro-2H-pyran-2-yloxy)-1-octén-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalényl}propoxy)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[2-[(3aS,5R,6R,6aS)-1,3a,4,5,6,6a-hexahydro-5-[(tetrahydro-2H-pyran-2-yl)oxy]-6-[(1E,3S)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octen-1-yl]-2-pentalenyl]-3-hydroxypropoxy]-, methyl ester [ACD/Index Name]
Methyl (3-hydroxy-2-{(3aS,5R,6R,6aS)-5-(tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}propoxy)acetate [ACD/IUPAC Name]
Methyl-(3-hydroxy-2-{(3aS,5R,6R,6aS)-5-(tetrahydro-2H-pyran-2-yloxy)-6-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-1,3a,4,5,6,6a-hexahydro-2-pentalenyl}propoxy)acetat [German] [ACD/IUPAC 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: 662.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 202.7±25.0 °C
Index of Refraction: 1.529
Molar Refractivity: 153.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2544.21
ACD/KOC (pH 5.5): 9534.33
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2544.21
ACD/KOC (pH 7.4): 9534.33
Polar Surface Area: 93 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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