ChemSpider 2D Image | {[(2R,3R,5S,6R)-2-{[(2R,3S,5R,6R)-5-[(Carboxymethyl)amino]-6-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl]amino}acetic acid (non-preferred name) | C17H30N2O11

{[(2R,3R,5S,6R)-2-{[(2R,3S,5R,6R)-5-[(Carboxymethyl)amino]-6-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl]amino}acetic acid (non-preferred name)

  • Molecular FormulaC17H30N2O11
  • Average mass438.427 Da
  • Monoisotopic mass438.184967 Da
  • ChemSpider ID107447284

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

{[(2R,3R,5S,6R)-2-{[(2R,3S,5R,6R)-5-[(Carboxymethyl)amino]-6-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl]amino}acetic acid (non-preferred name) [ACD/IUPAC Name]
{[(2R,3R,5S,6R)-2-{[(2R,3S,5R,6R)-5-[(Carboxymethyl)amino]-6-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-6-(hydroxymethyl)-5-methoxytetrahydro-2H-pyran-3-yl]amino}essigsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide {[(2R,3R,5S,6R)-2-{[(2R,3S,5R,6R)-5-[(carboxyméthyl)amino]-6-hydroxy-2-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-6-(hydroxyméthyl)-5-méthoxytétrahydro-2H-pyran-3-yl]amino}acétique (non-prefer red name) [French] [ACD/IUPAC Name]
83512-85-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 733.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.2±6.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.581
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -1.21
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 296.1±5.0 cm3

Click to predict properties on the Chemicalize site


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