ChemSpider 2D Image | ripostatin A | C30H38O6

ripostatin A

  • Molecular FormulaC30H38O6
  • Average mass494.619 Da
  • Monoisotopic mass494.266846 Da
  • ChemSpider ID28649229

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(1R,4E,7E,10E,13R,15S)-15-Hydroxy-11-methyl-15-[(3E)-3-methyl-5-phenyl-3-penten-1-yl]-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,7,10-trien-5-yl}acetic acid [ACD/IUPAC Name]
{(1R,4E,7E,10E,13R,15S)-15-Hydroxy-11-methyl-15-[(3E)-3-methyl-5-phenyl-3-penten-1-yl]-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,7,10-trien-5-yl}essigsäure [German] [ACD/IUPAC Name]
2,14-Dioxabicyclo[11.3.1]heptadeca-4,7,10-triene-5-acetic acid, 15-hydroxy-11-methyl-15-[(3E)-3-methyl-5-phenyl-3-penten-1-yl]-3-oxo-, (1R,4E,7E,10E,13R,15S)- [ACD/Index Name]
Acide {(1R,4E,7E,10E,13R,15S)-15-hydroxy-11-méthyl-15-[(3E)-3-méthyl-5-phényl-3-pentén-1-yl]-3-oxo-2,14-dioxabicyclo[11.3.1]heptadéca-4,7,10-trién-5-yl}acétique [French] [ACD/IUPAC Name]
ripostatin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 696.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 225.3±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 344.02
ACD/KOC (pH 5.5): 1166.33
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 5.41
ACD/KOC (pH 7.4): 18.35
Polar Surface Area: 93 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 442.4±3.0 cm3

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