ChemSpider 2D Image | (5S,13S)-19,21-Dimethoxy-5,13-bis(4-methoxyphenyl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene | C32H40O9

(5S,13S)-19,21-Dimethoxy-5,13-bis(4-methoxyphenyl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene

  • Molecular FormulaC32H40O9
  • Average mass568.655 Da
  • Monoisotopic mass568.267212 Da
  • ChemSpider ID9975816

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S,13S)-19,21-Dimethoxy-5,13-bis(4-methoxyphenyl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-trien [German] [ACD/IUPAC Name]
(5S,13S)-19,21-Dimethoxy-5,13-bis(4-methoxyphenyl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene [ACD/IUPAC Name]
(5S,13S)-19,21-Diméthoxy-5,13-bis(4-méthoxyphényl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]hénicosa-1(21),17,19-triène [French] [ACD/IUPAC Name]
3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene, 19,21-dimethoxy-5,13-bis(4-methoxyphenyl)-, (5S,13S)- [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: 744.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 286.0±32.8 °C
Index of Refraction: 1.516
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2613.13
ACD/KOC (pH 5.5): 9718.51
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2613.13
ACD/KOC (pH 7.4): 9718.51
Polar Surface Area: 83 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 511.0±3.0 cm3

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