ChemSpider 2D Image | O~3~-[2-Hydroxy-2-(1-hydroxy-2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine | C28H37NO9

O3-[2-Hydroxy-2-(1-hydroxy-2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine

  • Molecular FormulaC28H37NO9
  • Average mass531.595 Da
  • Monoisotopic mass531.246826 Da
  • ChemSpider ID544571

More details:

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

Cephalotaxine, O3-[2-hydroxy-2-(1-hydroxy-2-methoxy-2-oxoethyl)-5-methyl-1-oxohexyl]- [ACD/Index Name]
O3-[2-Hydroxy-2-(1-hydroxy-2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxin [German] [ACD/IUPAC Name]
O3-[2-Hydroxy-2-(1-hydroxy-2-methoxy-2-oxoethyl)-5-methylhexanoyl]cephalotaxine [ACD/IUPAC Name]
O3-[2-Hydroxy-2-(1-hydroxy-2-méthoxy-2-oxoéthyl)-5-méthylhexanoyl]cephalotaxine [French] [ACD/IUPAC Name]
1-[4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-methyl 2,3-dihydroxy-2-isopentylsuccinate
Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester)
Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), [3(2R,3S)]-
isoharringtonine

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

NSC 141634 [DBID]
UPCMLD-DP045:001 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 11.12
ACD/KOC (pH 5.5): 104.64
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 90.62
ACD/KOC (pH 7.4): 852.51
Polar Surface Area: 124 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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