ChemSpider 2D Image | O~3~-(2-{2-[(2E)-2-Buten-1-yloxy]-2-oxoethyl}-2,6-dihydroxy-6-methylheptanoyl)cephalotaxine | C32H43NO9

O3-(2-{2-[(2E)-2-Buten-1-yloxy]-2-oxoethyl}-2,6-dihydroxy-6-methylheptanoyl)cephalotaxine

  • Molecular FormulaC32H43NO9
  • Average mass585.685 Da
  • Monoisotopic mass585.293762 Da
  • ChemSpider ID8479285

  • Double-bond stereo - Double-bond stereo

More details:

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

Cephalotaxine, O3-[2-[2-[(2E)-2-buten-1-yloxy]-2-oxoethyl]-2,6-dihydroxy-6-methyl-1-oxoheptyl]- [ACD/Index Name]
O3-(2-{2-[(2E)-2-Buten-1-yloxy]-2-oxoethyl}-2,6-dihydroxy-6-methylheptanoyl)cephalotaxin [German] [ACD/IUPAC Name]
O3-(2-{2-[(2E)-2-Buten-1-yloxy]-2-oxoethyl}-2,6-dihydroxy-6-methylheptanoyl)cephalotaxine [ACD/IUPAC Name]
O3-(2-{2-[(2E)-2-Butén-1-yloxy]-2-oxoéthyl}-2,6-dihydroxy-6-méthylheptanoyl)cephalotaxine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 746.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.0±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 154.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 14.48
ACD/KOC (pH 5.5): 125.23
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 121.34
ACD/KOC (pH 7.4): 1049.66
Polar Surface Area: 124 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 449.9±5.0 cm3

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