ChemSpider 2D Image | (2alpha,11beta)-O~3~-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-1,2-dihydro-2,11-epoxycephalotaxine | C29H39NO9

(2α,11β)-O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-1,2-dihydro-2,11-epoxycephalotaxine

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID8967963

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2α,11β)-O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-1,2-dihydro-2,11-epoxycephalotaxin [German] [ACD/IUPAC Name]
(2α,11β)-O3-[(2R)-2-Hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-1,2-dihydro-2,11-epoxycephalotaxine [ACD/IUPAC Name]
(2α,11β)-O3-[(2R)-2-Hydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]-1,2-dihydro-2,11-époxycephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, 2,11-epoxy-1,2-dihydro-O3-[(2R)-2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]-, (2α,11β)- [ACD/Index 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: 656.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.7±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 775.76
ACD/KOC (pH 5.5): 3287.52
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1627.42
ACD/KOC (pH 7.4): 6896.68
Polar Surface Area: 113 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 406.4±5.0 cm3

Click to predict properties on the Chemicalize site


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