ChemSpider 2D Image | 1-[{2-Hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl }(oxo)acetyl]-2-piperidinecarboxylic acid | C51H79NO13

1-[{2-Hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl }(oxo)acetyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC51H79NO13
  • Average mass914.172 Da
  • Monoisotopic mass913.555115 Da
  • ChemSpider ID22547273

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[{2-Hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl }(oxo)acetyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[{2-Hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19-docosapentaen-1-yl]-3-methyltetrahydro-2H-pyran-2-yl }(oxo)acetyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[1,2-dioxo-2-[tetrahydro-2-hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-methoxycyclohexyl)-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxo-3,5,7,15,19- docosapentaen-1-yl]-3-methyl-2H-pyran-2-yl]ethyl]- [ACD/Index Name]
Acide 1-(2-{2-hydroxy-6-[(3E,5E,7E,15E,19Z)-14-hydroxy-22-(4-hydroxy-3-méthoxycyclohexyl)-2,13-diméthoxy-3,9,11,15,17,21-hexaméthyl-12,18-dioxo-3,5,7,15,19-docosapentaén-1-yl]-3-méthyltétrahydro-2H-py ran-2-yl}-2-oxoacétyl)-2-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 965.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.5±6.0 kJ/mol
Flash Point: 537.8±37.1 °C
Index of Refraction: 1.553
Molar Refractivity: 248.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 26.26
ACD/KOC (pH 5.5): 85.38
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 3.47
Polar Surface Area: 206 Å2
Polarizability: 98.5±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 776.3±5.0 cm3

Click to predict properties on the Chemicalize site


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