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Search term: KPAIBEKNDBAQDX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3xi,6R)-5-Amino-3,5-dideoxy-3-glycoloyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid | C11H19NO10

(3ξ,6R)-5-Amino-3,5-dideoxy-3-glycoloyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H19NO10
  • Average mass325.269 Da
  • Monoisotopic mass325.100891 Da
  • ChemSpider ID65791826

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(3ξ,6R)-5-Amino-3,5-dideoxy-3-glycoloyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(3ξ,6R)-5-Amino-3,5-didesoxy-3-glycoloyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (3ξ,6R)-5-amino-3,5-didésoxy-3-(2-hydroxyacétyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosonic acid, 5-amino-3,5-dideoxy-3-(2-hydroxyacetyl)-, (3ξ)- [ACD/Index Name]
glycolylneuraminic acid

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

Density: 1.8±0.1 g/cm3
Boiling Point: 790.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.0±6.0 kJ/mol
Flash Point: 431.8±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.80
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 211 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 117.9±3.0 dyne/cm
Molar Volume: 183.5±3.0 cm3

Click to predict properties on the Chemicalize site


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