ChemSpider 2D Image | (6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranosonate | C11H18NO10

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonate

  • Molecular FormulaC11H18NO10
  • Average mass324.262 Da
  • Monoisotopic mass324.093628 Da
  • ChemSpider ID128920104

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6R)-3,5-Dideoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonate [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-(glycoloylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranosonat [German] [ACD/IUPAC Name]
(6R)-3,5-Didésoxy-5-[(2-hydroxyacétyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranosonate [French] [ACD/IUPAC Name]
D-glycero-α-D-galacto-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[(2-hydroxyacetyl)amino]-, ion(1-) [ACD/Index Name]
3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-α-D-galacto-non-2-ulopyranosonate
Neu5Gcalpha(1-)
N-glycoloyl-α-neuraminate
  • Miscellaneous

    • Chemical Class:

      An N-glycoloylneuraminate that is conjugate base of N-glycoloyl-alpha-neuraminic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. ChEBI CHEBI:176558

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

Density:
Boiling Point: 884.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.0±6.0 kJ/mol
Flash Point: 488.6±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.46
ACD/LogD (pH 5.5): -6.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement