ChemSpider 2D Image | Palmerolide A | C33H48N2O7

Palmerolide A

  • Molecular FormulaC33H48N2O7
  • Average mass584.743 Da
  • Monoisotopic mass584.346130 Da
  • ChemSpider ID21105605

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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Palmerolide A
(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-Dihydroxy-4-methyl-2-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-20-oxooxacycloicosa-4,6,12,18-tetraen-10-yl carbamate [ACD/IUPAC Name]
(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-Dihydroxy-4-methyl-2-{(2R,3E,5E)-4-methyl-6-[(3-methyl-2-butenoyl)amino]-3,5-hexadien-2-yl}-20-oxooxacycloicosa-4,6,12,18-tetraen-10-ylcarbamat [German] [ACD/IUPAC Name]
(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-dihydroxy-4-methyl-2-{(2R,3E,5E)-4-methyl-6-[(3-methylbut-2-enoyl)amino]hexa-3,5-dien-2-yl}-20-oxooxacycloicosa-4,6,12,18-tetraen-10-yl carbamate
2-Butenamide, N-[(1E,3E,5R)-5-[(2R,4E,6E,10S,11S,12E,14S,18E)-10-[(aminocarbonyl)oxy]-11,14-dihydroxy-4-methyl-20-oxooxacycloeicosa-4,6,12,18-tetraen-2-yl]-3-methyl-1,3-hexadien-1-yl]-3-methyl- [ACD/Index Name]
Carbamate de (2R,4E,6E,10S,11S,12E,14S,18E)-11,14-dihydroxy-4-méthyl-2-{(2R,3E,5E)-4-méthyl-6-[(3-méthyl-2-butenoyl)amino]-3,5-hexadién-2-yl}-20-oxooxacycloicosa-4,6,12,18-tétraén-10-yle [French] [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: 833.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.8±6.0 kJ/mol
Flash Point: 457.9±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 375.22
ACD/KOC (pH 5.5): 2422.56
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 375.21
ACD/KOC (pH 7.4): 2422.56
Polar Surface Area: 148 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 50.0±5.0 dyne/cm
Molar Volume: 512.4±5.0 cm3

Click to predict properties on the Chemicalize site


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