ChemSpider 2D Image | O~3~-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine | C28H37NO9

O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine

  • Molecular FormulaC28H37NO9
  • Average mass531.595 Da
  • Monoisotopic mass531.246826 Da
  • ChemSpider ID57619646

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

Cephalotaxine, O3-[2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methyl-1-oxohexyl]- [ACD/Index Name]
O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[2,5-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC Name]
62624-24-2 [RN]
Harringtonine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 29.92
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.70
ACD/KOC (pH 7.4): 232.27
Polar Surface Area: 124 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 392.4±5.0 cm3

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