ChemSpider 2D Image | (3beta,4xi)-O~3~-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine | C28H37NO9

(3β,4ξ)-O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine

  • Molecular FormulaC28H37NO9
  • Average mass531.595 Da
  • Monoisotopic mass531.246826 Da
  • ChemSpider ID24764559

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3β,4ξ)-O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
(3β,4ξ)-O3-[2,5-Dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
(3β,4ξ)-O3-[2,5-Dihydroxy-2-(2-méthoxy-2-oxoéthyl)-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC Name]
Cephalotaξne, O3-[2,5-dihydroxy-2-(2-methoxy-2-oxoethyl)-5-methyl-1-oxohexyl]-, (3β,4ξ)- [ACD/Index Name]
(6S,3R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.0<2,6>.0<6,10>.0<15,19>]icosa-1(20),4,13,15(19)-tetraen-3-yl methyl 2-hydroxy-2-(3-hydroxy-3-methylbutyl)butane-1,4-dioate
Harringtonine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 29.92
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.70
ACD/KOC (pH 7.4): 232.27
Polar Surface Area: 124 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 392.4±5.0 cm3

Click to predict properties on the Chemicalize site


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