ChemSpider 2D Image | (3S,8Z,10S,11R,16Z,18S,19R)-11,19-Dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione | C22H34O8

(3S,8Z,10S,11R,16Z,18S,19R)-11,19-Dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione

  • Molecular FormulaC22H34O8
  • Average mass426.501 Da
  • Monoisotopic mass426.225372 Da
  • ChemSpider ID26400677

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,8Z,10S,11R,16Z,18S,19R)-11,19-Dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-dien-2,6,14-trion [German] [ACD/IUPAC Name]
(3S,8Z,10S,11R,16Z,18S,19R)-11,19-Dimethoxy-3,10,18-trimethyl-1,5,13-trioxacycloicosa-8,16-diene-2,6,14-trione [ACD/IUPAC Name]
(3S,8Z,10S,11R,16Z,18S,19R)-11,19-Diméthoxy-3,10,18-triméthyl-1,5,13-trioxacycloicosa-8,16-diène-2,6,14-trione [French] [ACD/IUPAC Name]
1,5,13-Trioxacycloeicosa-8,16-diene-2,6,14-trione, 11,19-dimethoxy-3,10,18-trimethyl-, (3S,8Z,10S,11R,16Z,18S,19R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 268.7±31.5 °C
Index of Refraction: 1.491
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.38
ACD/KOC (pH 5.5): 246.19
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.38
ACD/KOC (pH 7.4): 246.19
Polar Surface Area: 97 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

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