ChemSpider 2D Image | 1,4-Dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]-2(1H)-pyridinone | C16H25NO4

1,4-Dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]-2(1H)-pyridinone

  • Molecular FormulaC16H25NO4
  • Average mass295.374 Da
  • Monoisotopic mass295.178345 Da
  • ChemSpider ID78436953

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,4-Dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]-2(1H)-pyridinon [German] [ACD/IUPAC Name]
1,4-Dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]-2(1H)-pyridinone [ACD/IUPAC Name]
1,4-Dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tétraméthylcycloheptyl]-2(1H)-pyridinone [French] [ACD/IUPAC Name]
2(1H)-Pyridinone, 1,4-dihydroxy-3-[(1R,2S,3S,5R,7S)-3-hydroxy-2,3,5,7-tetramethylcycloheptyl]- [ACD/Index Name]
Akanthomycin

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 211.9±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 79.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 243.8±3.0 cm3

Click to predict properties on the Chemicalize site


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