ChemSpider 2D Image | (5S)-5-[(11R)-11-Hydroxy-11-{(2R,2'R,5S,5'S)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone | C37H66O7

(5S)-5-[(11R)-11-Hydroxy-11-{(2R,2'R,5S,5'S)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone

  • Molecular FormulaC37H66O7
  • Average mass622.916 Da
  • Monoisotopic mass622.480835 Da
  • ChemSpider ID4911220

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(5S)-5-[(11R)-11-Hydroxy-11-{(2R,2'R,5S,5'S)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(11R)-11-Hydroxy-11-{(2R,2'R,5S,5'S)-5'-[(1R)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}undecyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(5S)-5-[(11R)-11-Hydroxy-11-{(2R,2'R,5S,5'S)-5'-[(1R)-1-hydroxyundécyl]octahydro-2,2'-bifuran-5-yl}undécyl]-3-(2-oxopropyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-5-[(11R)-11-hydroxy-11-[(2R,2'R,5S,5'S)-octahydro-5'-[(1R)-1-hydroxyundecyl][2,2'-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-, (5S)- [ACD/Index Name]
123012-00-0 [RN]
Bullaticinone

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

NSC620595 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 738.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 217.7±18.1 °C
Index of Refraction: 1.496
Molar Refractivity: 175.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 2
ACD/LogP: 7.45
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 418940.03
ACD/KOC (pH 5.5): 368051.78
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 418940.03
ACD/KOC (pH 7.4): 368051.78
Polar Surface Area: 102 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 600.0±3.0 cm3

Click to predict properties on the Chemicalize site


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