ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-4-O-(3-fluorophenyl)-3-{[(1-propyl-4-piperidinyl)acetyl]amino}-D-threo-pentitol | C21H31FN2O3

1,5-Anhydro-2,3-dideoxy-4-O-(3-fluorophenyl)-3-{[(1-propyl-4-piperidinyl)acetyl]amino}-D-threo-pentitol

  • Molecular FormulaC21H31FN2O3
  • Average mass378.481 Da
  • Monoisotopic mass378.231873 Da
  • ChemSpider ID35052657

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-2,3-dideoxy-4-O-(3-fluorophenyl)-3-{[(1-propyl-4-piperidinyl)acetyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-4-O-(3-fluorophényl)-3-{[2-(1-propyl-4-pipéridinyl)acétyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-4-O-(3-fluorphenyl)-3-{[(1-propyl-4-piperidinyl)acetyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-2,3-dideoxy-4-O-(3-fluorophenyl)-3-[[2-(1-propyl-4-piperidinyl)acetyl]amino]- [ACD/Index Name]
N-[trans-3-(3-fluorophenoxy)tetrahydro-2H-pyran-4-yl]-2-(1-propylpiperidin-4-yl)acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 12.09
Polar Surface Area: 51 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 327.4±5.0 cm3

Click to predict properties on the Chemicalize site


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