ChemSpider 2D Image | methyl (2Z,4E,14E)-7,9,11-triacetoxy-15-(7-amino-5-hydroxy-2,4-dimethyl-1,6,9-trioxo-benzo[e]benzofuran-2-yl)oxy-13-methoxy-2,6,8,10,12-pentamethyl-pentadeca-2,4,14-trienoate | C42H53NO15

methyl (2Z,4E,14E)-7,9,11-triacetoxy-15-(7-amino-5-hydroxy-2,4-dimethyl-1,6,9-trioxo-benzo[e]benzofuran-2-yl)oxy-13-methoxy-2,6,8,10,12-pentamethyl-pentadeca-2,4,14-trienoate

  • Molecular FormulaC42H53NO15
  • Average mass811.868 Da
  • Monoisotopic mass811.341492 Da
  • ChemSpider ID8947013

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E,14E)-7,9,11-Triacétoxy-15-[(7-amino-5-hydroxy-2,4-diméthyl-1,6,9-trioxo-1,2,6,9-tétrahydronaphto[2,1-b]furan-2-yl)oxy]-13-méthoxy-2,6,8,10,12-pentaméthyl-2,4,14-pentadécatriénoate de méthyle [French] [ACD/IUPAC Name]
Methyl-(2Z,4E,14E)-7,9,11-triacetoxy-15-[(7-amino-5-hydroxy-2,4-dimethyl-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl)oxy]-13-methoxy-2,6,8,10,12-pentamethyl-2,4,14-pentadecatrienoat [German] [ACD/IUPAC 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: 881.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 487.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 206.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 379.94
ACD/KOC (pH 5.5): 1246.37
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 8.10
ACD/KOC (pH 7.4): 26.58
Polar Surface Area: 230 Å2
Polarizability: 81.9±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 631.3±5.0 cm3

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