ChemSpider 2D Image | (2S,3S,6S)-6-{2-[Bis(2-methoxyethyl)amino]ethyl}-3-hydroxy-N-(2-propyn-1-yl)tetrahydro-2H-pyran-2-carboxamide | C17H30N2O5

(2S,3S,6S)-6-{2-[Bis(2-methoxyethyl)amino]ethyl}-3-hydroxy-N-(2-propyn-1-yl)tetrahydro-2H-pyran-2-carboxamide

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID22936818

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S,6S)-6-{2-[Bis(2-methoxyethyl)amino]ethyl}-3-hydroxy-N-(2-propin-1-yl)tetrahydro-2H-pyran-2-carboxamid [German] [ACD/IUPAC Name]
(2S,3S,6S)-6-{2-[Bis(2-methoxyethyl)amino]ethyl}-3-hydroxy-N-(2-propyn-1-yl)tetrahydro-2H-pyran-2-carboxamide [ACD/IUPAC Name]
(2S,3S,6S)-6-{2-[Bis(2-méthoxyéthyl)amino]éthyl}-3-hydroxy-N-(2-propyn-1-yl)tétrahydro-2H-pyrane-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 528.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 273.6±30.1 °C
Index of Refraction: 1.499
Molar Refractivity: 90.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: -2.75
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.53
Polar Surface Area: 80 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 307.9±3.0 cm3

Click to predict properties on the Chemicalize site


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