ChemSpider 2D Image | (5R)-5-Hydroxy-4-{(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methyl-4-penten-1-yl)-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C25H38O4

(5R)-5-Hydroxy-4-{(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methyl-4-penten-1-yl)-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC25H38O4
  • Average mass402.567 Da
  • Monoisotopic mass402.277008 Da
  • ChemSpider ID26346166

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R)-5-Hydroxy-4-{(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,5-triméthyl-5-(4-méthyl-4-pentén-1-yl)-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
(5R)-5-Hydroxy-4-{(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methyl-4-penten-1-yl)-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-Hydroxy-4-{(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,5-trimethyl-5-(4-methyl-4-penten-1-yl)-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
2(5H)-Furanone, 5-hydroxy-4-[(1S)-1-hydroxy-2-[(1R,2R,5S,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,2,5-trimethyl-5-(4-methyl-4-penten-1-yl)-1-naphthalenyl]ethyl]-, (5R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.3±6.0 kJ/mol
Flash Point: 188.1±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8303.47
ACD/KOC (pH 5.5): 22232.64
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8275.00
ACD/KOC (pH 7.4): 22156.42
Polar Surface Area: 67 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 364.6±5.0 cm3

Click to predict properties on the Chemicalize site


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