ChemSpider 2D Image | (1s,3r,5z,7e,20s,23s)-1,3-Dihydroxy-23,26-Epoxy-9,10-Secocholesta-5,7,10,25(27)-Tetraen-26-One | C27H38O4

(1s,3r,5z,7e,20s,23s)-1,3-Dihydroxy-23,26-Epoxy-9,10-Secocholesta-5,7,10,25(27)-Tetraen-26-One

  • Molecular FormulaC27H38O4
  • Average mass426.588 Da
  • Monoisotopic mass426.277008 Da
  • ChemSpider ID25061166

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3R,5Z,7E,17α,20S,23S)-1,3-Dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-on [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E,17α,20S,23S)-1,3-Dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one [ACD/IUPAC Name]
(1S,3R,5Z,7E,17α,20S,23S)-1,3-Dihydroxy-23,26-époxy-9,10-sécocholesta-5,7,10,25(27)-tétraén-26-one [French] [ACD/IUPAC Name]
(1s,3r,5z,7e,20s,23s)-1,3-Dihydroxy-23,26-Epoxy-9,10-Secocholesta-5,7,10,25(27)-Tetraen-26-One
2(3H)-Furanone, 5-[(2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-, (5S)- [ACD/Index Name]
TEJ

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

Density: 1.1±0.1 g/cm3
Boiling Point: 618.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 204.5±25.0 °C
Index of Refraction: 1.567
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2556.04
ACD/KOC (pH 5.5): 9566.04
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2556.04
ACD/KOC (pH 7.4): 9566.04
Polar Surface Area: 67 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 374.0±5.0 cm3

Click to predict properties on the Chemicalize site


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