ChemSpider 2D Image | 1,5-Anhydro-2,3-dideoxy-4-O-ethyl-3-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}-D-threo-pentitol | C22H35NO4

1,5-Anhydro-2,3-dideoxy-4-O-ethyl-3-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}-D-threo-pentitol

  • Molecular FormulaC22H35NO4
  • Average mass377.518 Da
  • Monoisotopic mass377.256622 Da
  • ChemSpider ID35036919

  • 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-ethyl-3-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}-D-threo-pentitol [ACD/IUPAC Name]
1,5-Anhydro-2,3-didesoxy-4-O-ethyl-3-{[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzoyl]amino}-D-threo-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-2,3-didésoxy-4-O-éthyl-3-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)benzoyl]amino}-D-thréo-pentitol [French] [ACD/IUPAC Name]
D-threo-Pentitol, 1,5-anhydro-3-[[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl]amino]-2,3-dideoxy-4-O-ethyl- [ACD/Index Name]
3,5-di-tert-butyl-N-[trans-3-ethoxytetrahydro-2H-pyran-4-yl]-4-hydroxybenzamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 454.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 228.9±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 107.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1883.99
ACD/KOC (pH 5.5): 7689.05
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1852.83
ACD/KOC (pH 7.4): 7561.86
Polar Surface Area: 68 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 347.7±5.0 cm3

Click to predict properties on the Chemicalize site


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