ChemSpider 2D Image | (3Z)-5-({6-[(2E,4E)-5-(4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-methyl-2,4-pentadien-1-yl]-2,5-dimethyltetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate | C27H41NO8

(3Z)-5-({6-[(2E,4E)-5-(4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-methyl-2,4-pentadien-1-yl]-2,5-dimethyltetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate

  • Molecular FormulaC27H41NO8
  • Average mass507.616 Da
  • Monoisotopic mass507.283203 Da
  • ChemSpider ID8133497
  • Double-bond stereo - Double-bond stereo


More details:






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

(3Z)-5-({6-[(2E,4E)-5-(4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-methyl-2,4-pentadien-1-yl]-2,5-dimethyltetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate [ACD/IUPAC Name]
(3Z)-5-({6-[(2E,4E)-5-(4,7-Dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-methyl-2,4-pentadien-1-yl]-2,5-dimethyltetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl-acetat [German] [ACD/IUPAC Name]
2-Pentenamide, 4-(acetyloxy)-N-[6-[(2E,4E)-5-(4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-methyl-2,4-pentadien-1-yl]tetrahydro-2,5-dimethyl-2H-pyran-3-yl]-, (2Z)- [ACD/Index Name]
Acétate de (3Z)-5-({6-[(2E,4E)-5-(4,7-dihydroxy-7-méthyl-1,6-dioxaspiro[2.5]oct-5-yl)-3-méthyl-2,4-pentadién-1-yl]-2,5-diméthyltétrahydro-2H-pyran-3-yl}amino)-5-oxo-3-pentén-2-yle [French] [ACD/IUPAC Name]
FR901464

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.553
Molar Refractivity: 134.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 12.01
ACD/KOC (pH 5.5): 206.21
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 12.01
ACD/KOC (pH 7.4): 206.21
Polar Surface Area: 127 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 419.2±5.0 cm3

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