ChemSpider 2D Image | compound 11d [PMID: 23981898] | C27H36F4N2O4S

compound 11d [PMID: 23981898]

  • Molecular FormulaC27H36F4N2O4S
  • Average mass560.644 Da
  • Monoisotopic mass560.233215 Da
  • ChemSpider ID30834557

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,4S,5R)-3-(4-Amino-3-fluor-5-{[(2R)-1,1,1-trifluor-3-methoxy-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-{[(2R)-1,1,1-trifluoro-3-méthoxy-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-{[(2R)-1,1,1-trifluoro-3-methoxy-2-propanyl]oxy}benzyl)-4-hydroxy-5-{[3-(2-methyl-2-propanyl)benzyl]amino}tetrahydro-2H-thiopyranium-1-olate [ACD/IUPAC Name]
compound 11d [PMID: 23981898]
(1r,3s,4s,5r)-3-(4-Amino-3-Fluoro-5-{[(2r)-1,1,1-Trifluoro-3-Methoxypropan-2-Yl]oxy}benzyl)-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide
(1R,3S,4S,5R)-3-[(4-amino-3-fluoro-5-{[(2R)-1,1,1-trifluoro-3-methoxypropan-2-yl]oxy}phenyl)methyl]-5-{[(3-tert-butylphenyl)methyl]amino}-4-hydroxy-1&amp;λ;<small>&lt;sup>4</sup&gt;</small>-thian-1-one
1YT

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: 1.572
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 13
#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: 100 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 427.0±5.0 cm3

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