ChemSpider 2D Image | plakortolide S | C24H36O5

plakortolide S

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID27022853

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4aR,7aR)-3-[10-(4-Hydroxyphenyl)decyl]-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-on [German] [ACD/IUPAC Name]
(3S,4aR,7aR)-3-[10-(4-Hydroxyphenyl)decyl]-3,4a-dimethyltetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one [ACD/IUPAC Name]
(3S,4aR,7aR)-3-[10-(4-Hydroxyphényl)décyl]-3,4a-diméthyltétrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one [French] [ACD/IUPAC Name]
1267675-58-0 [RN]
Furo[3,2-c]-1,2-dioxin-6(3H)-one, tetrahydro-3-[10-(4-hydroxyphenyl)decyl]-3,4a-dimethyl-, (3S,4aR,7aR)-
plakortolide S

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 175.9±23.6 °C
Index of Refraction: 1.517
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13769.24
ACD/KOC (pH 5.5): 31931.34
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13744.78
ACD/KOC (pH 7.4): 31874.63
Polar Surface Area: 65 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 372.2±3.0 cm3

Click to predict properties on the Chemicalize site


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