ChemSpider 2D Image | 6-(3-Furyl)-3-methyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-hexanyl hydrogen sulfate | C25H40O5S

6-(3-Furyl)-3-methyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-hexanyl hydrogen sulfate

  • Molecular FormulaC25H40O5S
  • Average mass452.647 Da
  • Monoisotopic mass452.259644 Da
  • ChemSpider ID23154357

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

3-Furanpentanol, β-methyl-α-[[(1S,4aS,8aS)-1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]methyl]-, hydrogen sulfate [ACD/Index Name]
6-(3-Furyl)-3-methyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]-2-hexanyl hydrogen sulfate [ACD/IUPAC Name]
6-(3-Furyl)-3-methyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]-2-hexanylhydrogensulfat [German] [ACD/IUPAC Name]
6-(furan-3-yl)-3-methyl-1-[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]hexan-2-yl hydrogen sulfate
Hydrogénosulfate de 6-(3-furyl)-3-méthyl-1-[(1S,4aS,8aS)-2,5,5,8a-tétraméthyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl]-2-hexanyle [French] [ACD/IUPAC Name]
Sulfuric acid mono-[5-furan-3-yl-2-methyl-1-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl)-pentyl] ester

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.514
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 44.49
ACD/KOC (pH 5.5): 53.29
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 44.49
ACD/KOC (pH 7.4): 53.29
Polar Surface Area: 85 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 412.1±3.0 cm3

Click to predict properties on the Chemicalize site


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