ChemSpider 2D Image | (4alpha)-O~3~-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-8-oxocephalotaxine | C29H37NO10

(4α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-8-oxocephalotaxine

  • Molecular FormulaC29H37NO10
  • Average mass559.605 Da
  • Monoisotopic mass559.241760 Da
  • ChemSpider ID130377

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-8-oxocephalotaxin [German] [ACD/IUPAC Name]
(4α)-O3-[(2R)-2,6-Dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]-8-oxocephalotaxine [ACD/IUPAC Name]
(4α)-O3-[(2R)-2,6-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-6-méthylheptanoyl]-8-oxocephalotaxine [French] [ACD/IUPAC Name]
Cephalotaxine, O3-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methyl-1-oxoheptyl]-8-oxo-, (4α)- [ACD/Index Name]
119767-03-2 [RN]
Cephalotaxine, 8-oxo-, 4-methyl 2-hydroxy-2-(4-hydroxy-4-methypentyl)butanedioate (ester), (3(R))-
Homoharringtonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.0±3.0 kJ/mol
Flash Point: 412.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.37
ACD/KOC (pH 5.5): 159.25
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.37
ACD/KOC (pH 7.4): 159.24
Polar Surface Area: 141 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 405.2±5.0 cm3

Click to predict properties on the Chemicalize site


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