ChemSpider 2D Image | 5-({[(1S,2R,4R,6R)-2,6-Dihydroxy-2-methyl-4-phenylcyclononyl]methyl}amino)-3,3-dimethyl-5-oxopentanoic acid | C24H37NO5

5-({[(1S,2R,4R,6R)-2,6-Dihydroxy-2-methyl-4-phenylcyclononyl]methyl}amino)-3,3-dimethyl-5-oxopentanoic acid

  • Molecular FormulaC24H37NO5
  • Average mass419.554 Da
  • Monoisotopic mass419.267181 Da
  • ChemSpider ID77210631

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5-({[(1S,2R,4R,6R)-2,6-Dihydroxy-2-methyl-4-phenylcyclononyl]methyl}amino)-3,3-dimethyl-5-oxopentanoic acid [ACD/IUPAC Name]
5-({[(1S,2R,4R,6R)-2,6-Dihydroxy-2-methyl-4-phenylcyclononyl]methyl}amino)-3,3-dimethyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-({[(1S,2R,4R,6R)-2,6-dihydroxy-2-méthyl-4-phénylcyclononyl]méthyl}amino)-3,3-diméthyl-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[[[(1S,2R,4R,6R)-2,6-dihydroxy-2-methyl-4-phenylcyclononyl]methyl]amino]-3,3-dimethyl-5-oxo- [ACD/Index 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: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.4±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 10.77
ACD/KOC (pH 5.5): 106.14
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.67
Polar Surface Area: 107 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 373.5±3.0 cm3

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