Found 2 results

Search term: MF = 'C_{24}H_{34}N_{2}O_{12}'
ChemSpider 2D Image | 5-[(3-Carboxybenzyl)amino]-5-oxopentyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranosidonic acid | C24H34N2O12

5-[(3-Carboxybenzyl)amino]-5-oxopentyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranosidonic acid

  • Molecular FormulaC24H34N2O12
  • Average mass542.533 Da
  • Monoisotopic mass542.211182 Da
  • ChemSpider ID25034588

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

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

5-[(3-Carboxybenzyl)amino]-5-oxopentyl 5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranosidonic acid [ACD/IUPAC Name]
5-[(3-Carboxybenzyl)amino]-5-oxopentyl-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranosidonsäure [German] [ACD/IUPAC Name]
Acide 5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]hex-2-ulopyranosidonique de 5-[(3-carboxybenzyl)amino]-5-oxopentyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[5-[[5-(acetylamino)-3,5-dideoxy-D-erythro-2-nonulopyranonosyl]oxy]-1-oxopentyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 987.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.8±3.0 kJ/mol
Flash Point: 550.9±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -5.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 232 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 81.2±5.0 dyne/cm
Molar Volume: 366.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement