ChemSpider 2D Image | (3aS,4S,5S,6aR)-4-[(1E,3R,5R)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one | C27H44O6

(3aS,4S,5S,6aR)-4-[(1E,3R,5R)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID78273047

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3aS,4S,5S,6aR)-4-[(1E,3R,5R)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aS,4S,5S,6aR)-4-[(1E,3R,5R)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aS,4S,5S,6aR)-4-[(1E,3R,5R)-5-Méthyl-3-(tétrahydro-2H-pyran-2-yloxy)-1-nonén-1-yl]-5-(tétrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2-one, hexahydro-4-[(1E,3R,5R)-5-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-nonen-1-yl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aS,4S,5S,6aR)- [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: 596.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 252.4±30.2 °C
Index of Refraction: 1.518
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 542.96
ACD/KOC (pH 5.5): 3156.09
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 542.96
ACD/KOC (pH 7.4): 3156.09
Polar Surface Area: 63 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

Click to predict properties on the Chemicalize site


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