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)-6-Ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H,18'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,2 4~]pentacosa[10,14,16,22]tetraene]-2',18'-dione | C32H44O8

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

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID31112732

  • 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)-6-Ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H,18'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,2 4]pentacosa[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: 1.2±0.1 g/cm3
Boiling Point: 778.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.1±6.0 kJ/mol
Flash Point: 249.6±26.4 °C
Index of Refraction: 1.580
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5490.28
ACD/KOC (pH 5.5): 16534.59
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5488.50
ACD/KOC (pH 7.4): 16529.23
Polar Surface Area: 112 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 448.1±5.0 cm3

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