ChemSpider 2D Image | (2S)-5-(3-Furyl)-2-{2-[(1S,2R)-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydro-1-naphthalenyl]ethyl}pentyl sulfate | C25H39O5S

(2S)-5-(3-Furyl)-2-{2-[(1S,2R)-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydro-1-naphthalenyl]ethyl}pentyl sulfate

  • Molecular FormulaC25H39O5S
  • Average mass451.640 Da
  • Monoisotopic mass451.252380 Da
  • ChemSpider ID34895604
  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-5-(3-Furyl)-2-{2-[(1S,2R)-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydro-1-naphthalenyl]ethyl}pentyl sulfate [ACD/IUPAC Name]
(2S)-5-(3-Furyl)-2-{2-[(1S,2R)-1,2,5,5-tetramethyl-1,2,3,4,5,6,7,8-octahydro-1-naphthalinyl]ethyl}pentylsulfat [German] [ACD/IUPAC Name]
3-Furanpentanol, β-[2-[(1S,2R)-1,2,3,4,5,6,7,8-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl]ethyl]-, hydrogen sulfate, ion(1-), (βS)- [ACD/Index Name]
Sulfate de (2S)-5-(3-furyl)-2-{2-[(1S,2R)-1,2,5,5-tétraméthyl-1,2,3,4,5,6,7,8-octahydro-1-naphtalényl]éthyl}pentyle [French] [ACD/IUPAC Name]

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 56.55
ACD/KOC (pH 5.5): 63.28
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 56.55
ACD/KOC (pH 7.4): 63.28
Polar Surface Area: 88 Å2
Surface Tension:
Molar Volume:

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