ChemSpider 2D Image | (2S,3S)-1-{(2R,3aR,5S,6aR)-5-[(1E,3E)-5-{(2S,3aS,5R,6aS)-5-[(1E)-1-Hepten-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-2-methyl-1,3-pentadien-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-3-methyl-5-hexen-2-ol (non-pr eferred name) | C32H50O5

(2S,3S)-1-{(2R,3aR,5S,6aR)-5-[(1E,3E)-5-{(2S,3aS,5R,6aS)-5-[(1E)-1-Hepten-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-2-methyl-1,3-pentadien-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-3-methyl-5-hexen-2-ol (non-pr eferred name)

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID35516625

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3S)-1-{(2R,3aR,5S,6aR)-5-[(1E,3E)-5-{(2S,3aS,5R,6aS)-5-[(1E)-1-Hepten-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-2-methyl-1,3-pentadien-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-3-methyl-5-hexen-2-ol (non-pr eferred name) [German] [ACD/IUPAC Name]
(2S,3S)-1-{(2R,3aR,5S,6aR)-5-[(1E,3E)-5-{(2S,3aS,5R,6aS)-5-[(1E)-1-Hepten-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-2-methyl-1,3-pentadien-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-3-methyl-5-hexen-2-ol (non-pr eferred name) [ACD/IUPAC Name]
(2S,3S)-1-{(2R,3aR,5S,6aR)-5-[(1E,3E)-5-{(2S,3aS,5R,6aS)-5-[(1E)-1-Heptén-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-2-méthyl-1,3-pentadién-1-yl]hexahydrofuro[3,2-b]furan-2-yl}-3-méthyl-5-hexén-2-ol (non-pr eferred name) [French] [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: 630.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 334.9±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 153.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 48149.30
ACD/KOC (pH 5.5): 78231.23
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 48149.30
ACD/KOC (pH 7.4): 78231.23
Polar Surface Area: 57 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 480.3±3.0 cm3

Click to predict properties on the Chemicalize site


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