ChemSpider 2D Image | {2-Hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-(4-methoxyphenyl)-2-butanyl]amino}ethyl]phenyl}(methyl)sulfoniumolate | C20H27NO4S

{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-(4-methoxyphenyl)-2-butanyl]amino}ethyl]phenyl}(methyl)sulfoniumolate

  • Molecular FormulaC20H27NO4S
  • Average mass377.498 Da
  • Monoisotopic mass377.166077 Da
  • ChemSpider ID34993052

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-(4-methoxyphenyl)-2-butanyl]amino}ethyl]phenyl}(methyl)sulfoniumolat [German] [ACD/IUPAC Name]
{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-(4-methoxyphenyl)-2-butanyl]amino}ethyl]phenyl}(methyl)sulfoniumolate [ACD/IUPAC Name]
{2-Hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-(4-méthoxyphényl)-2-butanyl]amino}éthyl]phényl}(méthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Benzenemethanol, 4-hydroxy-3-(hydroxymethylsulfonio)-α-[[[(1S)-3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-, inner salt, (αS)- [ACD/Index Name]
66264-77-5 [RN]
sulfinalol [INN] [USAN]
UNII-PH7O14792O

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: 1.624
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 12
#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: 85 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 299.6±5.0 cm3

Click to predict properties on the Chemicalize site


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