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

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

  • Molecular FormulaC21H34O7S
  • Average mass430.556 Da
  • Monoisotopic mass430.202515 Da
  • ChemSpider ID77425660

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3a'R,5'R,6'S)-5'-[(2R)-1,4-Dioxaspiro[4.5]dec-2-yl]tetrahydrospiro[cyclohexane-1,2'-furo[2,3-d][1,3]dioxol]-6'-yl 2-propanesulfinate (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: 560.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 292.6±32.9 °C
Index of Refraction: 1.568
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.74
ACD/KOC (pH 5.5): 2275.29
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.74
ACD/KOC (pH 7.4): 2275.29
Polar Surface Area: 92 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 330.8±5.0 cm3

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