ChemSpider 2D Image | (1S,2R,5R,7R,9S,10R,12R)-9-Hydroxy-5-[(3S,5S)-3-hydroxy-5-methyl-2-oxotetrahydro-3-furanyl]-11,11-dimethyl-13-oxatetracyclo[10.2.2.0~1,10~.0~2,7~]hexadecane-8,15-dione | C22H30O7

(1S,2R,5R,7R,9S,10R,12R)-9-Hydroxy-5-[(3S,5S)-3-hydroxy-5-methyl-2-oxotetrahydro-3-furanyl]-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,15-dione

  • Molecular FormulaC22H30O7
  • Average mass406.469 Da
  • Monoisotopic mass406.199158 Da
  • ChemSpider ID28526937

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,5R,7R,9S,10R,12R)-9-Hydroxy-5-[(3S,5S)-3-hydroxy-5-methyl-2-oxotetrahydro-3-furanyl]-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecan-8,15-dion [German] [ACD/IUPAC Name]
(1S,2R,5R,7R,9S,10R,12R)-9-Hydroxy-5-[(3S,5S)-3-hydroxy-5-methyl-2-oxotetrahydro-3-furanyl]-11,11-dimethyl-13-oxatetracyclo[10.2.2.01,10.02,7]hexadecane-8,15-dione [ACD/IUPAC Name]
(1S,2R,5R,7R,9S,10R,12R)-9-Hydroxy-5-[(3S,5S)-3-hydroxy-5-méthyl-2-oxotétrahydro-3-furanyl]-11,11-diméthyl-13-oxatétracyclo[10.2.2.01,10.02,7]hexadécane-8,15-dione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 215.1±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.23
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.69
ACD/KOC (pH 5.5): 70.63
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.69
ACD/KOC (pH 7.4): 70.63
Polar Surface Area: 110 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 299.0±5.0 cm3

Click to predict properties on the Chemicalize site


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