ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-D-erythro-hex-2-ulopyranosonic acid | C11H19NO9

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H19NO9
  • Average mass309.270 Da
  • Monoisotopic mass309.105988 Da
  • ChemSpider ID29303243

  • defined stereocentres - 6 of 6 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-D-erythro-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-D-erythro-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-D-érythro-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-β-D-gulo-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy- [ACD/Index Name]
(2S,4S,5S,6R)-5-acetamido-2,4-dihydroxy-6-((1R,2R)-1,2,3-trihydroxypropyl)tetrahydro-2H-pyran-2-carboxylic acid
19342-33-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 805.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.3±6.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -3.13
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 95.7±5.0 dyne/cm
Molar Volume: 188.0±5.0 cm3

Click to predict properties on the Chemicalize site


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