ChemSpider 2D Image | IRCINIALACTAM A | C27H37NO6

IRCINIALACTAM A

  • Molecular FormulaC27H37NO6
  • Average mass471.586 Da
  • Monoisotopic mass471.262085 Da
  • ChemSpider ID24668725

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{3-[(3E,7E,12S,13Z)-13-(3-Hydroxy-4-methyl-5-oxo-2(5H)-furanyliden)-4,8,12-trimethyl-3,7-tridecadien-1-yl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}essigsäure [German] [ACD/IUPAC Name]
{3-[(3E,7E,12S,13Z)-13-(3-Hydroxy-4-methyl-5-oxo-2(5H)-furanylidene)-4,8,12-trimethyl-3,7-tridecadien-1-yl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}acetic acid [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 2,5-dihydro-3-[(3E,7E,12S,13Z)-13-(3-hydroxy-4-methyl-5-oxo-2(5H)-furanylidene)-4,8,12-trimethyl-3,7-tridecadien-1-yl]-2-oxo- [ACD/Index Name]
Acide {3-[(3E,7E,12S,13Z)-13-(3-hydroxy-4-méthyl-5-oxo-2(5H)-furanylidène)-4,8,12-triméthyl-3,7-tridécadién-1-yl]-2-oxo-2,5-dihydro-1H-pyrrol-1-yl}acétique [French] [ACD/IUPAC Name]
IRCINIALACTAM A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.3±6.0 kJ/mol
Flash Point: 369.8±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 5.60
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

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