ChemSpider 2D Image | (2S)-2-Amino-3-{[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}propanoic acid (non-preferred name) | C9H17NO8

(2S)-2-Amino-3-{[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}propanoic acid (non-preferred name)

  • Molecular FormulaC9H17NO8
  • Average mass267.233 Da
  • Monoisotopic mass267.095428 Da
  • ChemSpider ID34230110

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-Amino-3-{[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}propanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-2-Amino-3-{[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}propansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-3-{[(2R,3S,4R,5R,6R)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]méthoxy}propanoïque (non-preferred name) [French] [ACD/IUPAC Name]
β-D-Allopyranose, 6-O-[(2S)-2-amino-2-carboxyethyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 293.5±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -5.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 81.0±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site


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