ChemSpider 2D Image | Methyl 1-({(3R,4S,5R)-4-hydroxy-5-methyl-2-oxo-5-[(4E)-4-pentadecen-1-yl]tetrahydro-3-furanyl}methyl)-5-oxo-2-pyrrolidinecarboxylate | C27H45NO6

Methyl 1-({(3R,4S,5R)-4-hydroxy-5-methyl-2-oxo-5-[(4E)-4-pentadecen-1-yl]tetrahydro-3-furanyl}methyl)-5-oxo-2-pyrrolidinecarboxylate

  • Molecular FormulaC27H45NO6
  • Average mass479.649 Da
  • Monoisotopic mass479.324677 Da
  • ChemSpider ID29212964

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-({(3R,4S,5R)-4-Hydroxy-5-méthyl-2-oxo-5-[(4E)-4-pentadécén-1-yl]tétrahydro-3-furanyl}méthyl)-5-oxo-2-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 1-({(3R,4S,5R)-4-hydroxy-5-methyl-2-oxo-5-[(4E)-4-pentadecen-1-yl]tetrahydro-3-furanyl}methyl)-5-oxo-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-1-({(3R,4S,5R)-4-hydroxy-5-methyl-2-oxo-5-[(4E)-4-pentadecen-1-yl]tetrahydro-3-furanyl}methyl)-5-oxo-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
amphiasterin C1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 332.7±31.5 °C
Index of Refraction: 1.504
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 5.64
ACD/BCF (pH 5.5): 11374.91
ACD/KOC (pH 5.5): 27850.70
ACD/LogD (pH 7.4): 5.64
ACD/BCF (pH 7.4): 11374.84
ACD/KOC (pH 7.4): 27850.55
Polar Surface Area: 93 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 445.0±3.0 cm3

Click to predict properties on the Chemicalize site


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