ChemSpider 2D Image | Myxopyronin B | C23H31NO6

Myxopyronin B

  • Molecular FormulaC23H31NO6
  • Average mass417.495 Da
  • Monoisotopic mass417.215149 Da
  • ChemSpider ID23252060

  • Double-bond stereo - Double-bond stereo

More details:

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

[(1E)-5-{3-[(2E,4E)-2,5-Diméthyl-2,4-nonadienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-1-pentén-1-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1E)-5-[3-[(2E,4E)-2,5-dimethyl-1-oxo-2,4-nonadien-1-yl]-4-hydroxy-2-oxo-2H-pyran-6-yl]-1-penten-1-yl]-, methyl ester [ACD/Index Name]
Methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethyl-2,4-nonadienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-1-penten-1-yl]carbamate [ACD/IUPAC Name]
methyl [(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate
Methyl-[(1E)-5-{3-[(2E,4E)-2,5-dimethyl-2,4-nonadienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}-1-penten-1-yl]carbamat [German] [ACD/IUPAC Name]
Myxopyronin B
{(E)-5-[5-((2E,4E)-2,5-Dimethyl-nona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl]-pent-1-enyl}-carbamic acid methyl ester
methyl (E)-5-(5-((2E,4E)-2,5-dimethylnona-2,4-dienoyl)-4-hydroxy-6-oxo-6H-pyran-2-yl)pent-1-enylcarbamate
methyl N-[(1E)-5-{3-[(2E,4E)-2,5-dimethylnona-2,4-dienoyl]-4-hydroxy-2-oxo-2H-pyran-6-yl}pent-1-en-1-yl]carbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 551.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 287.4±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 114.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 402.15
ACD/KOC (pH 5.5): 1854.95
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 7.87
ACD/KOC (pH 7.4): 36.28
Polar Surface Area: 102 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 364.2±3.0 cm3

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