ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-glycero-hexo-2,4-diulo-2,6-pyranosonic acid | C11H17NO9

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hexo-2,4-diulo-2,6-pyranosonic acid

  • Molecular FormulaC11H17NO9
  • Average mass307.254 Da
  • Monoisotopic mass307.090332 Da
  • ChemSpider ID61712236

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hexo-2,4-diulo-2,6-pyranosonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycero-hexo-2,4-diulo-2,6-pyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-glycéro-hexo-2,4-diulo-2,6-pyranosonique [French] [ACD/IUPAC Name]
α-D-manno-2,4-Nonodiulo-2,6-pyranosonic acid, 5-(acetylamino)-3,5-dideoxy- [ACD/Index Name]
O-SIALIC ACID
SIA

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

Density: 1.6±0.1 g/cm3
Boiling Point: 815.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 134.9±6.0 kJ/mol
Flash Point: 446.9±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 64.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.79
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 91.6±5.0 dyne/cm
Molar Volume: 187.0±5.0 cm3

Click to predict properties on the Chemicalize site


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