ChemSpider 2D Image | 2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{4-[4-(methylsulfonyl)phenyl]butoxy}hexyl)amino]ethyl}phenol | C26H39NO6S

2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{4-[4-(methylsulfonyl)phenyl]butoxy}hexyl)amino]ethyl}phenol

  • Molecular FormulaC26H39NO6S
  • Average mass493.656 Da
  • Monoisotopic mass493.249817 Da
  • ChemSpider ID31106013

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzenedimethanol, 4-hydroxy-α1-[[[6-[4-[4-(methylsulfonyl)phenyl]butoxy]hexyl]amino]methyl]-, (α1R)- [ACD/Index Name]
2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{4-[4-(methylsulfonyl)phenyl]butoxy}hexyl)amino]ethyl}phenol [German] [ACD/IUPAC Name]
2-(Hydroxymethyl)-4-{(1R)-1-hydroxy-2-[(6-{4-[4-(methylsulfonyl)phenyl]butoxy}hexyl)amino]ethyl}phenol [ACD/IUPAC Name]
2-(Hydroxyméthyl)-4-{(1R)-1-hydroxy-2-[(6-{4-[4-(méthylsulfonyl)phényl]butoxy}hexyl)amino]éthyl}phénol [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 712.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 384.5±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 135.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.68
Polar Surface Area: 124 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 415.5±3.0 cm3

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