ChemSpider 2D Image | (1R,2E,8S,10R,11S)-6-(Hydroxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0~3,7~]tetradeca-2,6-dien-8-yl (2E)-2-methyl-2-butenoate | C21H28O7

(1R,2E,8S,10R,11S)-6-(Hydroxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC21H28O7
  • Average mass392.443 Da
  • Monoisotopic mass392.183502 Da
  • ChemSpider ID28521839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2E,8S,10R,11S)-6-(Hydroxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1R,2E,8S,10R,11S)-6-(Hydroxymethyl)-11-methoxy-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2E,8S,10R,11S)-6-(hydroxyméthyl)-11-méthoxy-1,10-diméthyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tétradéca-2,6-dién-8-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (4S,6R,7S,10R,11E)-2,4,5,6,7,8,9,10-octahydro-3-(hydroxymethyl)-7-methoxy-6,10-dimethyl-2-oxo-7,10-epoxycyclodeca[b]furan-4-yl ester, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.8±6.0 kJ/mol
Flash Point: 195.6±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.26
ACD/KOC (pH 5.5): 1129.79
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.26
ACD/KOC (pH 7.4): 1129.79
Polar Surface Area: 91 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 314.3±5.0 cm3

Click to predict properties on the Chemicalize site


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