ChemSpider 2D Image | 5-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate | C25H40O7S

5-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate

  • Molecular FormulaC25H40O7S
  • Average mass484.646 Da
  • Monoisotopic mass484.249481 Da
  • ChemSpider ID24619160

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2(5H)-Furanone, 5-hydroxy-4-[6-(1,2,3,4,4a,5,6,7-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl)-4-[(sulfooxy)methyl]hexyl]- [ACD/Index Name]
5-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate [ACD/IUPAC Name]
5-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalinyl)ethyl]pentylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-(2-hydroxy-5-oxo-2,5-dihydro-3-furanyl)-2-[2-(1,2,5,5-tétraméthyl-1,2,3,4,4a,5,6,7-octahydro-1-naphtalényl)éthyl]pentyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.554
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.18
Polar Surface Area: 119 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 394.4±5.0 cm3

Click to predict properties on the Chemicalize site


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