ChemSpider 2D Image | (3Z)-5-({2,5-Dimethyl-6-[(2E,4E)-3-methyl-5-(4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadien-1-yl]tetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate | C27H41NO9

(3Z)-5-({2,5-Dimethyl-6-[(2E,4E)-3-methyl-5-(4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadien-1-yl]tetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate

  • Molecular FormulaC27H41NO9
  • Average mass523.616 Da
  • Monoisotopic mass523.278137 Da
  • ChemSpider ID8544951

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-5-({2,5-Dimethyl-6-[(2E,4E)-3-methyl-5-(4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadien-1-yl]tetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl acetate [ACD/IUPAC Name]
(3Z)-5-({2,5-Dimethyl-6-[(2E,4E)-3-methyl-5-(4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadien-1-yl]tetrahydro-2H-pyran-3-yl}amino)-5-oxo-3-penten-2-yl-acetat [German] [ACD/IUPAC Name]
2-Pentenamide, 4-(acetyloxy)-N-[tetrahydro-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-(4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadien-1-yl]-2H-pyran-3-yl]-, (2Z)- [ACD/Index Name]
Acétate de (3Z)-5-({2,5-diméthyl-6-[(2E,4E)-3-méthyl-5-(4,7,8-trihydroxy-7-méthyl-1,6-dioxaspiro[2.5]oct-5-yl)-2,4-pentadién-1-yl]tétrahydro-2H-pyran-3-yl}amino)-5-oxo-3-pentén-2-yle [French] [ACD/IUPAC Name]
FR901465

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 398.7±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.67
ACD/KOC (pH 5.5): 202.05
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.67
ACD/KOC (pH 7.4): 202.05
Polar Surface Area: 147 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 417.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement