ChemSpider 2D Image | (6R)-6-[(1S,2R)-3-Acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-alpha-L-threo-hex-2-ulopyranosonic acid | C13H21NO10

(6R)-6-[(1S,2R)-3-Acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-α-L-threo-hex-2-ulopyranosonic acid

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID35031758

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(6R)-6-[(1S,2R)-3-Acetoxy-1,2-dihydroxypropyl]-3,5-dideoxy-5-[(Z)-(1-hydroxyethylidene)amino]-α-L-threo-hex-2-ulopyranosonic acid [ACD/IUPAC Name]
(6R)-6-[(1S,2R)-3-Acetoxy-1,2-dihydroxypropyl]-3,5-didesoxy-5-[(Z)-(1-hydroxyethyliden)amino]-α-L-threo-hex-2-ulopyranosonsäure [German] [ACD/IUPAC Name]
Acide (6R)-6-[(1S,2R)-3-acétoxy-1,2-dihydroxypropyl]-3,5-didésoxy-5-[(Z)-(1-hydroxyéthylidène)amino]-α-L-thréo-hex-2-ulopyranosonique [French] [ACD/IUPAC Name]
D-glycero-α-L-altro-2-Nonulopyranosonic acid, 3,5-dideoxy-5-[[(1Z)-1-hydroxyethylidene]amino]-, 9-acetate [ACD/Index Name]
N-Acetyl-O-acetylneuraminate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 712.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.1±6.0 kJ/mol
Flash Point: 385.0±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.12
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 65.0±7.0 dyne/cm
Molar Volume: 213.0±7.0 cm3

Click to predict properties on the Chemicalize site


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