ChemSpider 2D Image | 4,5-Anhydro-5-[(2E)-2-buten-2-yl]-1,2-dideoxy-2-[(1E,3E,6E)-8-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4-methyl-D-xylitol | C28H41NO5

4,5-Anhydro-5-[(2E)-2-buten-2-yl]-1,2-dideoxy-2-[(1E,3E,6E)-8-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4-methyl-D-xylitol

  • Molecular FormulaC28H41NO5
  • Average mass471.629 Da
  • Monoisotopic mass471.298462 Da
  • ChemSpider ID78438315

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4,5-Anhydro-5-[(2E)-2-buten-2-yl]-1,2-dideoxy-2-[(1E,3E,6E)-8-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4-methyl-D-xylitol [ACD/IUPAC Name]
4,5-Anhydro-5-[(2E)-2-buten-2-yl]-1,2-didesoxy-2-[(1E,3E,6E)-8-(5,6-dimethoxy-3-methyl-4-oxo-1,4-dihydro-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4-methyl-D-xylitol [German] [ACD/IUPAC Name]
4,5-Anhydro-5-[(2E)-2-butén-2-yl]-1,2-didésoxy-2-[(1E,3E,6E)-8-(5,6-diméthoxy-3-méthyl-4-oxo-1,4-dihydro-2-pyridinyl)-2,6-diméthyl-1,3,6-octatrién-1-yl]-4-méthyl-D-xylitol [French] [ACD/IUPAC Name]
D-Xylitol, 4,5-anhydro-1,2-dideoxy-2-[(1E,3E,6E)-8-(1,4-dihydro-5,6-dimethoxy-3-methyl-4-oxo-2-pyridinyl)-2,6-dimethyl-1,3,6-octatrien-1-yl]-4-C-methyl-5-C-[(1E)-1-methyl-1-propen-1-yl]- [ACD/Index Name]
piericidin C7

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 340.3±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 690.21
ACD/KOC (pH 5.5): 3735.56
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.80
ACD/KOC (pH 7.4): 3776.65
Polar Surface Area: 80 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 430.3±5.0 cm3

Click to predict properties on the Chemicalize site


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