ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-5,6,11',13',22'-pentamethyl-3,4,5,6-tetrahydro-2'H,18'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pen tacosa[10,14,16,22]tetraene]-2',18'-dione | C31H42O8

(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-5,6,11',13',22'-pentamethyl-3,4,5,6-tetrahydro-2'H,18'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pen tacosa[10,14,16,22]tetraene]-2',18'-dione

  • Molecular FormulaC31H42O8
  • Average mass542.660 Da
  • Monoisotopic mass542.287964 Da
  • ChemSpider ID31113026

  • 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

(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-5,6,11',13',22'-pentamethyl-3,4,5,6-tetrahydro-2'H,18'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pen tacosa[10,14,16,22]tetraene]-2',18'-dione [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 249.9±26.4 °C
Index of Refraction: 1.583
Molar Refractivity: 144.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2730.72
ACD/KOC (pH 5.5): 10029.56
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2729.83
ACD/KOC (pH 7.4): 10026.31
Polar Surface Area: 112 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 432.1±5.0 cm3

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