Found 1 result

Search term: 29415063 (Found by CSID)
ChemSpider 2D Image | 3-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexen-1-yl)-2(1H)-pyridinone | C24H29NO5

3-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexen-1-yl)-2(1H)-pyridinone

  • Molecular FormulaC24H29NO5
  • Average mass411.491 Da
  • Monoisotopic mass411.204559 Da
  • ChemSpider ID29415063

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2(1H)-Pyridinone, 4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexen-1-yl)-3-[[(1R,2R,4aS,6R,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2,6-dimethyl-1-naphthalenyl]carbonyl]- [ACD/Index Name]
3-{[(1R,2R,4aS,6R,8aR)-2,6-Diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}-4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexén-1-yl)-2(1H)-pyridinone [French] [ACD/IUPAC Name]
3-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexen-1-yl)-2(1H)-pyridinone [ACD/IUPAC Name]
3-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}-4-hydroxy-5-(1-hydroxy-4-oxo-2-cyclohexen-1-yl)-2(1H)-pyridinon [German] [ACD/IUPAC Name]
didymellamide C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±6.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.10
ACD/KOC (pH 5.5): 32.14
ACD/LogD (pH 7.4): -0.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

Click to predict properties on the Chemicalize site


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