ChemSpider 2D Image | Ethyl 4-{2-[(3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy}benzoate | C17H25NO7

Ethyl 4-{2-[(3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy}benzoate

  • Molecular FormulaC17H25NO7
  • Average mass355.383 Da
  • Monoisotopic mass355.163116 Da
  • ChemSpider ID21163398

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

279-613-2 [EINECS]
4-{2-[(3R,4R,5S)-3,4,5-Trihydroxy-2-(hydroxyméthyl)-1-pipéridinyl]éthoxy}benzoate d'éthyle [French] [ACD/IUPAC Name]
80879-63-6 [RN]
Benzoic acid, 4-[2-[(3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy]-, ethyl ester [ACD/Index Name]
Ethyl 4-{2-[(3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy}benzoate [ACD/IUPAC Name]
Ethyl-4-{2-[(3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)-1-piperidinyl]ethoxy}benzoat [German] [ACD/IUPAC Name]
1,5-dideoxy-1,5-[[2-[4-(ethoxycarbonyl)phenoxy]ethyl]imino]-D-glucitol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.7±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 89.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): -0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.33
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 36.56
Polar Surface Area: 120 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

Click to predict properties on the Chemicalize site


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