ChemSpider 2D Image | O~3~-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoyl]cephalotaxine | C27H35NO8

O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoyl]cephalotaxine

  • Molecular FormulaC27H35NO8
  • Average mass501.569 Da
  • Monoisotopic mass501.236267 Da
  • ChemSpider ID8919344

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cephalotaxine, O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-4-methyl-1-oxopentyl]- [ACD/Index Name]
O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-4-methylpentanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[(2R)-2-Hydroxy-2-(2-méthoxy-2-oxoéthyl)-4-méthylpentanoyl]cephalotaxine [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462030/
Nordeoxyharringtonine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.1±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 6.67
ACD/KOC (pH 5.5): 73.68
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 51.89
ACD/KOC (pH 7.4): 572.82
Polar Surface Area: 104 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 379.3±5.0 cm3

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