ChemSpider 2D Image | (2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)propanoic acid (non-preferred name) | C9H17NO7

(2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)propanoic acid (non-preferred name)

  • Molecular FormulaC9H17NO7
  • Average mass251.234 Da
  • Monoisotopic mass251.100494 Da
  • ChemSpider ID57549982

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxytetrahydro-2H-pyran-2-yl]methyl}amino)propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2R)-2-({[(3S,4R,5R)-2,3,4,5-tétrahydroxytétrahydro-2H-pyran-2-yl]méthyl}amino)propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
D-Fructopyranose, 1-[[(1R)-1-carboxyethyl]amino]-1-deoxy- [ACD/Index Name]
(2R)-2-({[(3S,4R,5R)-2,3,4,5-Tetrahydroxyoxan-2-yl]methyl}amino)propanoic acid (non-preferred name)
16124-24-6 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 487.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.6±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -4.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 139 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 158.3±3.0 cm3

Click to predict properties on the Chemicalize site


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