Found 1 result

Search term: ZQKVKMSXUHTAAF (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5xi,9beta,17xi,20xi)-11,24,25-Trihydroxy-9,19-cyclolanost-7-ene-3,16,23-trione | C30H44O6

(5ξ,9β,17ξ,20ξ)-11,24,25-Trihydroxy-9,19-cyclolanost-7-ene-3,16,23-trione

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID30650624

  • defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(5ξ,9β,17ξ,20ξ)-11,24,25-Trihydroxy-9,19-cyclolanost-7-en-3,16,23-trion [German] [ACD/IUPAC Name]
(5ξ,9β,17ξ,20ξ)-11,24,25-Trihydroxy-9,19-cyclolanost-7-ene-3,16,23-trione [ACD/IUPAC Name]
(5ξ,9β,17ξ,20ξ)-11,24,25-Trihydroxy-9,19-cyclolanost-7-ène-3,16,23-trione [French] [ACD/IUPAC Name]
9,19-Cyclolanost-7-ene-3,16,23-trione, 11,24,25-trihydroxy-, (5ξ,9β,17ξ,20ξ)- [ACD/Index 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: 675.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 376.1±28.0 °C
Index of Refraction: 1.580
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.26
ACD/KOC (pH 5.5): 436.74
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.26
ACD/KOC (pH 7.4): 436.74
Polar Surface Area: 112 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 406.3±5.0 cm3

Click to predict properties on the Chemicalize site


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