ChemSpider 2D Image | Maximiscin | C23H31NO8

Maximiscin

  • Molecular FormulaC23H31NO8
  • Average mass449.494 Da
  • Monoisotopic mass449.204956 Da
  • ChemSpider ID34485502

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,4S,5S,6R)-6-({3-[(1R,2S,4R,6S)-2,4-Diméthyl-6-vinylcyclohexyl]-4-hydroxy-2-oxo-1(2H)-pyridinyl}oxy)-3,4,5-trihydroxy-1-cyclohexène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1-Cyclohexene-1-carboxylic acid, 6-[[3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethylcyclohexyl]-4-hydroxy-2-oxo-1(2H)-pyridinyl]oxy]-3,4,5-trihydroxy-, methyl ester, (3S,4S,5S,6R)- [ACD/Index Name]
Maximiscin [Wiki]
Methyl (3S,4S,5S,6R)-6-({3-[(1R,2S,4R,6S)-2,4-dimethyl-6-vinylcyclohexyl]-4-hydroxy-2-oxo-1(2H)-pyridinyl}oxy)-3,4,5-trihydroxy-1-cyclohexene-1-carboxylate [ACD/IUPAC Name]
Methyl-(3S,4S,5S,6R)-6-({3-[(1R,2S,4R,6S)-2,4-dimethyl-6-vinylcyclohexyl]-4-hydroxy-2-oxo-1(2H)-pyridinyl}oxy)-3,4,5-trihydroxy-1-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 565.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.5±6.0 kJ/mol
Flash Point: 295.6±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 38.02
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 330.9±5.0 cm3

Click to predict properties on the Chemicalize site


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