ChemSpider 2D Image | (6S)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-D-threo-hex-2-ulopyranosonic acid | C11H20NO12P

(6S)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-D-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC11H20NO12P
  • Average mass389.250 Da
  • Monoisotopic mass389.072296 Da
  • ChemSpider ID30776539

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6S)-5-Acetamido-3,5-dideoxy-6-[(2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-D-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6S)-5-Acetamido-3,5-didesoxy-6-[(2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-D-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6S)-5-acétamido-3,5-didésoxy-6-[(2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-D-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-altro-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, 9-(dihydrogen phosphate) [ACD/Index Name]
(4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid
N-Acetylneuraminate 9-phosphate

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 75.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.65
ACD/LogD (pH 5.5): -8.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 106.3±5.0 dyne/cm
Molar Volume: 217.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement