Found 11 results

Search term: LVBIMVQYUKOENY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4xi)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hex-2-ulopyranosonic acid | C13H21NO10

(4ξ)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranosonic acid

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID57425610

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(4ξ)-5-Acetamido-4-O-acetyl-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(4ξ)-5-Acetamido-4-O-acetyl-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (4ξ)-5-acétamido-4-O-acétyl-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
α-D-arabino-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 4-acetate [ACD/Index Name]
16655-75-7 [RN]
4-O-Acetyl-N-acetyl-neuraminic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 747.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 124.4±6.0 kJ/mol
Flash Point: 405.9±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.77
ACD/LogD (pH 5.5): -5.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 80.3±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

Click to predict properties on the Chemicalize site


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