ChemSpider 2D Image | O~3~-[2,6-Dihydroxy-2-(2-isopropoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | C31H43NO9

O3-[2,6-Dihydroxy-2-(2-isopropoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC31H43NO9
  • Average mass573.674 Da
  • Monoisotopic mass573.293762 Da
  • ChemSpider ID8320193

More details:

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

Cephalotaxine, O3-[2,6-dihydroxy-6-methyl-2-[2-(1-methylethoxy)-2-oxoethyl]-1-oxoheptyl]- [ACD/Index Name]
O3-[2,6-Dihydroxy-2-(2-isopropoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[2,6-Dihydroxy-2-(2-isopropoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[2,6-Dihydroxy-2-(2-isopropoxy-2-oxoéthyl)-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.3±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 11.17
ACD/KOC (pH 5.5): 103.85
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 94.16
ACD/KOC (pH 7.4): 875.26
Polar Surface Area: 124 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 441.1±5.0 cm3

Click to predict properties on the Chemicalize site


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