ChemSpider 2D Image | (6R)-3,5-Dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid | C12H21NO9

(6R)-3,5-Dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC12H21NO9
  • Average mass323.296 Da
  • Monoisotopic mass323.121643 Da
  • ChemSpider ID29333668

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-3,5-Dideoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-3,5-Didesoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-3,5-didésoxy-5-(propionylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[(1-oxopropyl)amino]- [ACD/Index Name]
N-propanoylneuraminic 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: 789.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.9±6.0 kJ/mol
Flash Point: 431.5±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 70.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.60
ACD/LogD (pH 5.5): -5.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 204.3±5.0 cm3

Click to predict properties on the Chemicalize site


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