ChemSpider 2D Image | (2S)-2-Amino-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoic acid (non-preferred name) | C8H15NO7

(2S)-2-Amino-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoic acid (non-preferred name)

  • Molecular FormulaC8H15NO7
  • Average mass237.207 Da
  • Monoisotopic mass237.084854 Da
  • ChemSpider ID110560419

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-Amino-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl]oxy}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
α-D-Xylopyranoside, (2S)-2-amino-2-carboxyethyl [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 270.6±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 50.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 19.9±0.5 10-24cm3
Surface Tension: 86.2±5.0 dyne/cm
Molar Volume: 149.1±5.0 cm3

Click to predict properties on the Chemicalize site


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