ChemSpider 2D Image | O~3~-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]cephalotaxine | C28H37NO9

O3-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]cephalotaxine

  • Molecular FormulaC28H37NO9
  • Average mass531.595 Da
  • Monoisotopic mass531.246826 Da
  • ChemSpider ID23976550

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cephalotaxine, O3-[(2R)-2-(carboxymethyl)-2,6-dihydroxy-6-methyl-1-oxoheptyl]- [ACD/Index Name]
O3-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[(2R)-2-(Carboxymethyl)-2,6-dihydroxy-6-methylheptanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[(2R)-2-(Carboxyméthyl)-2,6-dihydroxy-6-méthylheptanoyl]cephalotaxine [French] [ACD/IUPAC Name]
4�?Demethyl Homoharringtonine
4'-DEMETHYL HOMOHARRINGTONINE
98599-84-9 [RN]
desmethyl homoharringtonine labeled d5

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 733.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.3±3.0 kJ/mol
    Flash Point: 397.1±32.9 °C
    Index of Refraction: 1.626
    Molar Refractivity: 135.8±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 2.16
    ACD/LogD (pH 5.5): -0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.13
    ACD/LogD (pH 7.4): -1.34
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 135 Å2
    Polarizability: 53.8±0.5 10-24cm3
    Surface Tension: 67.5±5.0 dyne/cm
    Molar Volume: 383.6±5.0 cm3

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