ChemSpider 2D Image | (2R,3S,4R,5S)-1-(2-Acetoxyethyl)-2-(acetoxymethyl)-3,4,5-piperidinetriyl triacetate | C18H27NO10

(2R,3S,4R,5S)-1-(2-Acetoxyethyl)-2-(acetoxymethyl)-3,4,5-piperidinetriyl triacetate

  • Molecular FormulaC18H27NO10
  • Average mass417.408 Da
  • Monoisotopic mass417.163483 Da
  • ChemSpider ID107446843

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,3S,4R,5S)-1-(2-Acetoxyethyl)-2-(acetoxymethyl)-3,4,5-piperidinetriyl triacetate [ACD/IUPAC Name]
(2R,3S,4R,5S)-1-(2-Acetoxyethyl)-2-(acetoxymethyl)-3,4,5-piperidintriyl-triacetat [German] [ACD/IUPAC Name]
3,4,5-Piperidinetriol, 1-[2-(acetyloxy)ethyl]-2-[(acetyloxy)methyl]-, triacetate (ester), (2R,3S,4R,5S)- [ACD/Index Name]
Triacétate de (2R,3S,4R,5S)-1-(2-acétoxyéthyl)-2-(acétoxyméthyl)-3,4,5-pipéridinetriyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 233.1±27.3 °C
Index of Refraction: 1.496
Molar Refractivity: 96.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.52
ACD/KOC (pH 5.5): 45.04
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.14
Polar Surface Area: 135 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 330.0±5.0 cm3

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