ChemSpider 2D Image | (11alpha)-11-Hydroxy-O~3~-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine | C28H37NO9

(11α)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine

  • Molecular FormulaC28H37NO9
  • Average mass531.595 Da
  • Monoisotopic mass531.246826 Da
  • ChemSpider ID8943894

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11α)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
(11α)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
(11α)-11-Hydroxy-O3-[(2R)-2-hydroxy-2-(2-méthoxy-2-oxoéthyl)-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, 11-hydroxy-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-5-methyl-1-oxohexyl]-, (11α)- [ACD/Index Name]
11β-hydroxydeoxyharringtonine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511730/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.9±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 11.55
ACD/KOC (pH 5.5): 161.40
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.41
ACD/KOC (pH 7.4): 341.23
Polar Surface Area: 124 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

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