ChemSpider 2D Image | Ethyl {[(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino}acetate (non-preferred name) | C10H17NO8

Ethyl {[(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino}acetate (non-preferred name)

  • Molecular FormulaC10H17NO8
  • Average mass279.244 Da
  • Monoisotopic mass279.095428 Da
  • ChemSpider ID67034054

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{[(2S,3R,4S,5R)-2,3,4,5-Tétrahydroxy-6-oxohexanoyl]amino}acétate d'éthyle (non-preferred name) [French] [ACD/IUPAC Name]
Ethyl {[(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino}acetate (non-preferred name) [ACD/IUPAC Name]
Ethyl-{[(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoyl]amino}acetat (non-preferred name) [German] [ACD/IUPAC Name]
N-galacturonoylglycine ethyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 59.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.03
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.03
Polar Surface Area: 153 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 191.9±3.0 cm3

Click to predict properties on the Chemicalize site


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