ChemSpider 2D Image | 2,6-Anhydro-3,5-dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid | C11H17NO9

2,6-Anhydro-3,5-dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid

  • Molecular FormulaC11H17NO9
  • Average mass307.254 Da
  • Monoisotopic mass307.090332 Da
  • ChemSpider ID128777090

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,6-Anhydro-3,5-dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonic acid [ACD/IUPAC Name]
2,6-Anhydro-3,5-didesoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide 2,6-anhydro-3,5-didésoxy-5-[(2-hydroxyacétyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-érythro-hex-2-énonique [French] [ACD/IUPAC Name]
D-manno-Non-2-enonic acid, 2,6-anhydro-3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-, (6ξ)- [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: 854.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.2±6.0 kJ/mol
Flash Point: 470.5±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 65.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.59
ACD/LogD (pH 5.5): -4.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 102.8±5.0 dyne/cm
Molar Volume: 180.8±5.0 cm3

Click to predict properties on the Chemicalize site


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