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Search term: 23076720 (Found by CSID)
ChemSpider 2D Image | prugosene C2 | C27H36O4

prugosene C2

  • Molecular FormulaC27H36O4
  • Average mass424.572 Da
  • Monoisotopic mass424.261353 Da
  • ChemSpider ID23076720

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5R)-2-(Hydroxymethyl)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl}-4,5-dimethyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R,5R)-2-(Hydroxymethyl)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl}-4,5-dimethyl-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R,5R)-2-(Hydroxyméthyl)-4-{(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-triméthyl-5,6-dihydro-2H-pyran-2-yl]-1,3,5,7,9-undécapentaén-1-yl}-4,5-diméthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 4-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5,6-dihydro-5-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl]-1,3,5,7,9-undecapentaen-1-yl]-2-(hydroxymethyl)-4,5-dimethyl-, (4R,5R)- [ACD/Index Name]
prugosene C2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 193.8±23.6 °C
Index of Refraction: 1.571
Molar Refractivity: 129.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2320.51
ACD/KOC (pH 5.5): 8926.50
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2320.51
ACD/KOC (pH 7.4): 8926.50
Polar Surface Area: 67 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 392.4±3.0 cm3

Click to predict properties on the Chemicalize site


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