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Search term: 63002538 (Found by CSID)
ChemSpider 2D Image | penitalarin A | C23H34O4

penitalarin A

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID63002538

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5S)-2,5:3,4-Dianhydro-4-méthyl-5-[(1E,3E,5R,7E,9E,11S)-5,7,11-triméthyl-1,3,7,9-tridécatétraén-1-yl]-D-ribonate de méthyle [French] [ACD/IUPAC Name]
D-Ribonic acid, 2,5:3,4-dianhydro-4-C-methyl-5-C-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraen-1-yl]-, methyl ester, (5S)- [ACD/Index Name]
Methyl (5S)-2,5:3,4-dianhydro-4-methyl-5-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraen-1-yl]-D-ribonate [ACD/IUPAC Name]
Methyl-(5S)-2,5:3,4-dianhydro-4-methyl-5-[(1E,3E,5R,7E,9E,11S)-5,7,11-trimethyl-1,3,7,9-tridecatetraen-1-yl]-D-ribonat [German] [ACD/IUPAC Name]
penitalarin 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: 459.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 195.7±27.4 °C
Index of Refraction: 1.541
Molar Refractivity: 111.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8857.76
ACD/KOC (pH 5.5): 23285.44
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8857.76
ACD/KOC (pH 7.4): 23285.44
Polar Surface Area: 48 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 353.8±3.0 cm3

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