ChemSpider 2D Image | (11beta)-11-Hydroxy-O~3~-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | C29H39NO9

(11β)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID9015596

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
(11β)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
(11β)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, 11-hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]-, (11β)- [ACD/Index Name]
11α-hydroxyhomodeoxyharringtonine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465786/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 367.8±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 140.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 32.35
ACD/KOC (pH 5.5): 337.48
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.38
ACD/KOC (pH 7.4): 713.29
Polar Surface Area: 124 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 409.2±5.0 cm3

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