ChemSpider 2D Image | Corallopyronin A | C30H41NO7

Corallopyronin A

  • Molecular FormulaC30H41NO7
  • Average mass527.649 Da
  • Monoisotopic mass527.288330 Da
  • ChemSpider ID34485488

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1E,5R)-5-{4-Hydroxy-3-[(2E,4E,8R,9Z,12E)-8-hydroxy-2,5,9-triméthyl-2,4,9,12-tetradecatetraenoyl]-2-oxo-2H-pyran-6-yl}-1-hexén-1-yl]carbamate de méthyle [French] [ACD/IUPAC Name]
93195-32-5 [RN]
Carbamic acid, N-[(1E,5R)-5-[4-hydroxy-3-[(2E,4E,8R,9Z,12E)-8-hydroxy-2,5,9-trimethyl-1-oxo-2,4,9,12-tetradecatetraen-1-yl]-2-oxo-2H-pyran-6-yl]-1-hexen-1-yl]-, methyl ester [ACD/Index Name]
Corallopyronin A
Methyl [(1E,5R)-5-{4-hydroxy-3-[(2E,4E,8R,9Z,12E)-8-hydroxy-2,5,9-trimethyl-2,4,9,12-tetradecatetraenoyl]-2-oxo-2H-pyran-6-yl}-1-hexen-1-yl]carbamate [ACD/IUPAC Name]
Methyl-[(1E,5R)-5-{4-hydroxy-3-[(2E,4E,8R,9Z,12E)-8-hydroxy-2,5,9-trimethyl-2,4,9,12-tetradecatetraenoyl]-2-oxo-2H-pyran-6-yl}-1-hexen-1-yl]carbamat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1317.18
ACD/KOC (pH 5.5): 4239.83
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 25.00
ACD/KOC (pH 7.4): 80.48
Polar Surface Area: 122 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 462.7±3.0 cm3

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