ChemSpider 2D Image | (3E,5E,15E)-8,10,12-Trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentamethyloxacycloicosa-3,5,15-trien-2-one | C30H52O6

(3E,5E,15E)-8,10,12-Trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentamethyloxacycloicosa-3,5,15-trien-2-one

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID27025569
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,5E,15E)-8,10,12-Trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentamethyloxacycloicosa-3,5,15-trien-2-on [German] [ACD/IUPAC Name]
(3E,5E,15E)-8,10,12-Trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentamethyloxacycloicosa-3,5,15-trien-2-one [ACD/IUPAC Name]
(3E,5E,15E)-8,10,12-Trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentaméthyloxacycloicosa-3,5,15-trién-2-one [French] [ACD/IUPAC Name]
Oxacycloeicosa-3,5,15-trien-2-one, 8,10,12-trihydroxy-20-(4-hydroxyhexyl)-11,13,15,17,19-pentamethyl-, (3E,5E,15E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 211.1±25.0 °C
Index of Refraction: 1.481
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4379.87
ACD/KOC (pH 5.5): 14065.38
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4379.87
ACD/KOC (pH 7.4): 14065.38
Polar Surface Area: 107 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 33.9±3.0 dyne/cm
Molar Volume: 512.6±3.0 cm3

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