ChemSpider 2D Image | {[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]amino}acetic acid | C8H17NO7

{[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]amino}acetic acid

  • Molecular FormulaC8H17NO7
  • Average mass239.223 Da
  • Monoisotopic mass239.100494 Da
  • ChemSpider ID18513761

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]amino}acetic acid [ACD/IUPAC Name]
{[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]amino}essigsäure [German] [ACD/IUPAC Name]
Acide {[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino}acétique [French] [ACD/IUPAC Name]
D-Glucitol, 1-[(carboxymethyl)amino]-1-deoxy- [ACD/Index Name]
N-Glucosylglycine
N-Glycinyl-1-deoxy-D-glucitol

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

Density: 1.6±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 346.1±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -3.43
ACD/LogD (pH 5.5): -5.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 91.5±3.0 dyne/cm
Molar Volume: 153.1±3.0 cm3

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