ChemSpider 2D Image | (5alpha)-O~3~-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | C29H39NO9

(5α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID30809545

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
(5α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
(5α)-O3-[(2R)-2,6-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, O3-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]-, (5α)- [ACD/Index 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: 713.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.77
ACD/KOC (pH 5.5): 82.18
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 60.29
ACD/KOC (pH 7.4): 637.87
Polar Surface Area: 124 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site


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