ChemSpider 2D Image | (1R,4xi,6S)-1,4:2,6-Dianhydro-1-ethyl-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-2,4-dimethyl-L-arabino-hexitol | C23H30O7

(1R,4ξ,6S)-1,4:2,6-Dianhydro-1-ethyl-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-2,4-dimethyl-L-arabino-hexitol

  • Molecular FormulaC23H30O7
  • Average mass418.480 Da
  • Monoisotopic mass418.199158 Da
  • ChemSpider ID28282863

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,4ξ,6S)-1,4:2,6-Dianhydro-1-ethyl-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-2,4-dimethyl-L-arabino-hexitol [German] [ACD/IUPAC Name]
(1R,4ξ,6S)-1,4:2,6-Dianhydro-1-ethyl-6-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-2,4-dimethyl-L-arabino-hexitol [ACD/IUPAC Name]
(1R,4ξ,6S)-1,4:2,6-Dianhydro-1-éthyl-6-[(1E,3E,5E)-6-(4-méthoxy-5-méthyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrién-1-yl]-2,4-diméthyl-L-arabino-hexitol [French] [ACD/IUPAC Name]
L-gluco-Octitol, 3,6:4,8-dianhydro-1,2-dideoxy-8-C-[(1E,3E,5E)-6-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-1,3,5-hexatrien-1-yl]-4,6-di-C-methyl-, (6ξ,8S)- [ACD/Index Name]
aurovertin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 212.7±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.52
ACD/KOC (pH 5.5): 560.30
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.52
ACD/KOC (pH 7.4): 560.29
Polar Surface Area: 94 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement