ChemSpider 2D Image | (6R)-5-Acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonate | C13H20NO10

(6R)-5-Acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranosonate

  • Molecular FormulaC13H20NO10
  • Average mass350.299 Da
  • Monoisotopic mass350.109283 Da
  • ChemSpider ID128919858

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-5-Acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6R)-5-Acetamido-6-[(1R,2R)-3-acetoxy-1,2-dihydroxypropyl]-3,5-didesoxy-β-L-threo-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-6-[(1R,2R)-3-acétoxy-1,2-dihydroxypropyl]-3,5-didésoxy-β-L-thréo-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-acetate, ion(1-) [ACD/Index Name]
[(2->8)-N,O(9)-diacetyl-α-D-neuraminosyl]n
missing
  • Miscellaneous

    • Chemical Class:

      A polyanionic polymer obtained by deprotonation of the carboxy groups of [(2->8)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n; major species at pH 7.3. ChEBI CHEBI:139286

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

Density:
Boiling Point: 757.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.9±6.0 kJ/mol
Flash Point: 412.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.08
ACD/LogD (pH 5.5): -5.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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