ChemSpider 2D Image | (3beta,4alpha,5alpha)-(21,21,21-~2~H_3_)Cephalotaxine | C18H18D3NO4

(3β,4α,5α)-(21,21,21-2H3)Cephalotaxine

  • Molecular FormulaC18H18D3NO4
  • Average mass318.382 Da
  • Monoisotopic mass318.165894 Da
  • ChemSpider ID78075907

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β,4α,5α)-(21,21,21-2H3)Cephalotaxin [German] [ACD/IUPAC Name]
(3β,4α,5α)-(21,21,21-2H3)Cephalotaxine [ACD/IUPAC Name]
(3β,4α,5α)-(21,21,21-2H3)Cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine-21,21,21-d3, (3β,4α,5α)- [ACD/Index Name]

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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