ChemSpider 2D Image | phaeosphaeride A | C15H23NO5

phaeosphaeride A

  • Molecular FormulaC15H23NO5
  • Average mass297.347 Da
  • Monoisotopic mass297.157623 Da
  • ChemSpider ID35000193

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4S)-3,4-Dihydroxy-6-methoxy-3-methyl-7-methylen-2-pentyl-3,4,6,7-tetrahydropyrano[2,3-c]pyrrol-5(2H)-on [German] [ACD/IUPAC Name]
(2S,3R,4S)-3,4-Dihydroxy-6-methoxy-3-methyl-7-methylene-2-pentyl-3,4,6,7-tetrahydropyrano[2,3-c]pyrrol-5(2H)-one [ACD/IUPAC Name]
(2S,3R,4S)-3,4-Dihydroxy-6-méthoxy-3-méthyl-7-méthylène-2-pentyl-3,4,6,7-tétrahydropyrano[2,3-c]pyrrol-5(2H)-one [French] [ACD/IUPAC Name]
phaeosphaeride A
Phyllostictine B
Pyrano[2,3-c]pyrrol-5(2H)-one, 3,4,6,7-tetrahydro-3,4-dihydroxy-6-methoxy-3-methyl-7-methylene-2-pentyl-, (2S,3R,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 394.9±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.6±6.0 kJ/mol
Flash Point: 192.6±30.7 °C
Index of Refraction: 1.557
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.33
ACD/KOC (pH 5.5): 321.43
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.33
ACD/KOC (pH 7.4): 321.42
Polar Surface Area: 79 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 239.0±5.0 cm3

Click to predict properties on the Chemicalize site


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