ChemSpider 2D Image | (1S,2S,3S,7S,14S,16S)-2-Hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.0~3,14~.0~14,18~]octadec-11(18)-ene-6,10,12-trione | C19H24O6

(1S,2S,3S,7S,14S,16S)-2-Hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione

  • Molecular FormulaC19H24O6
  • Average mass348.390 Da
  • Monoisotopic mass348.157288 Da
  • ChemSpider ID35516764

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,3S,7S,14S,16S)-2-Hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-en-6,10,12-trion [German] [ACD/IUPAC Name]
(1S,2S,3S,7S,14S,16S)-2-Hydroxy-1,7,16-trimethyl-13,17-dioxatetracyclo[9.5.2.03,14.014,18]octadec-11(18)-ene-6,10,12-trione [ACD/IUPAC Name]
(1S,2S,3S,7S,14S,16S)-2-Hydroxy-1,7,16-triméthyl-13,17-dioxatétracyclo[9.5.2.03,14.014,18]octadéc-11(18)-ène-6,10,12-trione [French] [ACD/IUPAC Name]
12,14a,3-(Epoxymethanediylylidene)-2H-1-benzoxacyclododecin-2,4,8(5H,9H)-trione, 6,7,10,10a,11,12,13,14-octahydro-11-hydroxy-7,12,13-trimethyl-, (7S,10aS,11S,12S,13S,14aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 205.3±23.6 °C
Index of Refraction: 1.573
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 57.41
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.41
Polar Surface Area: 90 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 262.8±5.0 cm3

Click to predict properties on the Chemicalize site


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