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Search term: FDQWHWDUPVSADZ-UMWDTMKUSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 5-(Dimethylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]hexyl}-1-naphthalenesulfonamide | C24H37N3O5S

5-(Dimethylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]hexyl}-1-naphthalenesulfonamide

  • Molecular FormulaC24H37N3O5S
  • Average mass479.633 Da
  • Monoisotopic mass479.245392 Da
  • ChemSpider ID23269020
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-Naphthalenesulfonamide, 5-(dimethylamino)-N-[6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]hexyl]- [ACD/Index Name]
5-(Diméthylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-méthyl-1-pipéridinyl]hexyl}-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
5-(Dimethylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]hexyl}-1-naphthalenesulfonamide [ACD/IUPAC Name]
5-(Dimethylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methyl-1-piperidinyl]hexyl}-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
5-(dimethylamino)-N-{6-[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]hexyl}naphthalene-1-sulfonamide
5-(dimethylamino)-N-(6-((2S,3R,4S,5R)-3,4,5-trihydroxy-2-methylpiperidin-1-yl)hexyl)naphthalene-1-sulfonamide
CHEMBL205277

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 676.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 126.45
Polar Surface Area: 122 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 379.2±3.0 cm3

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