ChemSpider 2D Image | (3S,4S)-1-[(2,5-Dichloro-4-methoxyphenyl)sulfonyl]-4-methoxy-3-pyrrolidinol | C12H15Cl2NO5S

(3S,4S)-1-[(2,5-Dichloro-4-methoxyphenyl)sulfonyl]-4-methoxy-3-pyrrolidinol

  • Molecular FormulaC12H15Cl2NO5S
  • Average mass356.222 Da
  • Monoisotopic mass355.004791 Da
  • ChemSpider ID67903336

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(2,5-Dichlor-4-methoxyphenyl)sulfonyl]-4-methoxy-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3S,4S)-1-[(2,5-Dichloro-4-methoxyphenyl)sulfonyl]-4-methoxy-3-pyrrolidinol [ACD/IUPAC Name]
(3S,4S)-1-[(2,5-Dichloro-4-méthoxyphényl)sulfonyl]-4-méthoxy-3-pyrrolidinol [French] [ACD/IUPAC Name]
3-Pyrrolidinol, 1-[(2,5-dichloro-4-methoxyphenyl)sulfonyl]-4-methoxy-, (3S,4S)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 504.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 259.0±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 79.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.78
ACD/KOC (pH 5.5): 366.15
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.78
ACD/KOC (pH 7.4): 366.15
Polar Surface Area: 84 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 228.7±5.0 cm3

Click to predict properties on the Chemicalize site


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