ChemSpider 2D Image | 1-[{(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid | C32H49NO9

1-[{(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID8048947

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

1-[{(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[{(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-Dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]-2-hydroxy-3-methyltetrahydro-2H-pyran-2-yl}(oxo)acetyl]-2-piperidinecarboxylic acid [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[2-[(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxo-3,5,7-tridecatrien-1-yl]tetrahydro-2-hydroxy-3-methyl-2H-pyran-2-yl]-1,2-dioxoethyl]- [ACD/Index Name]
Acide 1-(2-{(2R,3R)-6-[(2S,3E,5E,7E,9S,11R)-2,13-diméthoxy-3,9,11-triméthyl-12-oxo-3,5,7-tridécatrién-1-yl]-2-hydroxy-3-méthyltétrahydro-2H-pyran-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: 1.1±0.1 g/cm3
Boiling Point: 734.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.3±6.0 kJ/mol
Flash Point: 398.0±35.7 °C
Index of Refraction: 1.522
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.85
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 140 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 516.9±3.0 cm3

Click to predict properties on the Chemicalize site


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