ChemSpider 2D Image | 7-O-methylkoninginin D | C17H28O5

7-O-methylkoninginin D

  • Molecular FormulaC17H28O5
  • Average mass312.401 Da
  • Monoisotopic mass312.193665 Da
  • ChemSpider ID24671515

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4R,8R)-8-Hydroxy-2-[(1S)-1-hydroxyheptyl]-4-methoxy-2,3,4,6,7,8-hexahydro-5H-chromen-5-on [German] [ACD/IUPAC Name]
(2S,4R,8R)-8-Hydroxy-2-[(1S)-1-hydroxyheptyl]-4-methoxy-2,3,4,6,7,8-hexahydro-5H-chromen-5-one [ACD/IUPAC Name]
(2S,4R,8R)-8-Hydroxy-2-[(1S)-1-hydroxyheptyl]-4-méthoxy-2,3,4,6,7,8-hexahydro-5H-chromén-5-one [French] [ACD/IUPAC Name]
5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-4-methoxy-, (2S,4R,8R)- [ACD/Index Name]
7-O-methylkoninginin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 489.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.1±6.0 kJ/mol
Flash Point: 173.7±22.2 °C
Index of Refraction: 1.523
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.55
ACD/KOC (pH 5.5): 353.98
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.55
ACD/KOC (pH 7.4): 353.98
Polar Surface Area: 76 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 270.7±5.0 cm3

Click to predict properties on the Chemicalize site


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