ChemSpider 2D Image | ({(3a'R,5'R,6'S,6a'R)-5'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl}oxy)(isopropyl)sulfoniumolate (non-preferred name) | C21H34O7S

({(3a'R,5'R,6'S,6a'R)-5'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl}oxy)(isopropyl)sulfoniumolate (non-preferred name)

  • Molecular FormulaC21H34O7S
  • Average mass430.556 Da
  • Monoisotopic mass430.202515 Da
  • ChemSpider ID74104955

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

({(3a'R,5'R,6'S,6a'R)-5'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl}oxy)(isopropyl)sulfoniumolate (non-preferred name) [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.568
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 78 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 330.8±5.0 cm3

Click to predict properties on the Chemicalize site


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