ChemSpider 2D Image | (1s,3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoropropan-2-Yl)oxy]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide | C26H31F7N2O3S

(1s,3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoropropan-2-Yl)oxy]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide

  • Molecular FormulaC26H31F7N2O3S
  • Average mass584.590 Da
  • Monoisotopic mass584.194336 Da
  • ChemSpider ID30834554

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoropropan-2-Yl)oxy]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide
(3S,4S,5R)-3-{4-Amino-3-fluor-5-[(1,1,1,3,3,3-hexafluor-2-propanyl)oxy]benzyl}-4-hydroxy-5-{[3-(2-methyl-2-propanyl)benzyl]amino}tetrahydro-2H-thiopyranium-1-olat [German] [ACD/IUPAC Name]
(3S,4S,5R)-3-{4-Amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoro-2-propanyl)oxy]benzyl}-4-hydroxy-5-{[3-(2-méthyl-2-propanyl)benzyl]amino}tétrahydro-2H-thiopyraneium-1-olate [French] [ACD/IUPAC Name]
(3S,4S,5R)-3-{4-Amino-3-fluoro-5-[(1,1,1,3,3,3-hexafluoro-2-propanyl)oxy]benzyl}-4-hydroxy-5-{[3-(2-methyl-2-propanyl)benzyl]amino}tetrahydro-2H-thiopyranium-1-olate [ACD/IUPAC Name]
1YU

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.553
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 11
#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: 91 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


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