ChemSpider 2D Image | 2-PROPENYL-N-ACETYL-NEURAMIC ACID | C14H23NO8

2-PROPENYL-N-ACETYL-NEURAMIC ACID

  • Molecular FormulaC14H23NO8
  • Average mass333.334 Da
  • Monoisotopic mass333.142365 Da
  • ChemSpider ID26329542

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(6S)-5-Acetamido-2-allyl-2,6-anhydro-3,5-dideoxy-6-[(2R)-1,2,3-trihydroxypropyl]-D-xylo-hexonic acid [ACD/IUPAC Name]
(6S)-5-Acetamido-2-allyl-2,6-anhydro-3,5-didesoxy-6-[(2R)-1,2,3-trihydroxypropyl]-D-xylo-hexonsäure [German] [ACD/IUPAC Name]
2-PROPENYL-N-ACETYL-NEURAMIC ACID
Acide (6S)-5-acétamido-2-allyl-2,6-anhydro-3,5-didésoxy-6-[(2R)-1,2,3-trihydroxypropyl]-D-xylo-hexonique [French] [ACD/IUPAC Name]
D-glycero-D-gluco-Nononic acid, 5-(acetylamino)-2,6-anhydro-3,5-dideoxy-2-C-2-propen-1-yl- [ACD/Index Name]
(2R,4R,5S,6S)-5-acetamido-4-hydroxy-2-(prop-2-en-1-yl)-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 710.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.7±6.0 kJ/mol
Flash Point: 383.6±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 77.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -4.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 234.6±5.0 cm3

Click to predict properties on the Chemicalize site


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