ChemSpider 2D Image | O~3~-[(2R)-2-(Carboxymethyl)-2,5-dihydroxy-5-methylhexanoyl]cephalotaxine | C27H35NO9

O3-[(2R)-2-(Carboxymethyl)-2,5-dihydroxy-5-methylhexanoyl]cephalotaxine

  • Molecular FormulaC27H35NO9
  • Average mass517.568 Da
  • Monoisotopic mass517.231201 Da
  • ChemSpider ID8705291

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Cephalotaxine, O3-[(2R)-2-(carboxymethyl)-2,5-dihydroxy-5-methyl-1-oxohexyl]- [ACD/Index Name]
O3-[(2R)-2-(Carboxymethyl)-2,5-dihydroxy-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[(2R)-2-(Carboxymethyl)-2,5-dihydroxy-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[(2R)-2-(Carboxyméthyl)-2,5-dihydroxy-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC 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: 698.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 376.3±31.5 °C
Index of Refraction: 1.632
Molar Refractivity: 131.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.04
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 69.0±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

Click to predict properties on the Chemicalize site


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