ChemSpider 2D Image | (4xi)-(8,8,21,21,21-~2~H_5_)Cephalotaxine | C18H16D5NO4

(4ξ)-(8,8,21,21,21-2H5)Cephalotaxine

  • Molecular FormulaC18H16D5NO4
  • Average mass320.394 Da
  • Monoisotopic mass320.178436 Da
  • ChemSpider ID58793448

  • defined stereocentres - 2 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4ξ)-(8,8,21,21,21-2H5)Cephalotaxin [German] [ACD/IUPAC Name]
(4ξ)-(8,8,21,21,21-2H5)Cephalotaxine [ACD/IUPAC Name]
(4ξ)-(8,8,21,21,21-2H5)Cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaξne-8,8,21,21,21-d5, (4ξ)- [ACD/Index Name]
24316-81-2 [RN]
cephalotaxine labeled d5
MFCD30179563

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 495.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 253.3±28.7 °C
    Index of Refraction: 1.665
    Molar Refractivity: 84.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.13
    ACD/LogD (pH 5.5): -0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.87
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 3.23
    ACD/KOC (pH 7.4): 72.33
    Polar Surface Area: 51 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 63.5±5.0 dyne/cm
    Molar Volume: 227.3±5.0 cm3

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