ChemSpider 2D Image | 2,3,4,6-Tetra-O-acetyl-N-(3-carboxypropanoyl)-beta-D-galactopyranosylamine | C18H25NO12

2,3,4,6-Tetra-O-acetyl-N-(3-carboxypropanoyl)-β-D-galactopyranosylamine

  • Molecular FormulaC18H25NO12
  • Average mass447.391 Da
  • Monoisotopic mass447.137665 Da
  • ChemSpider ID57613868

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tetra-O-acetyl-N-(3-carboxypropanoyl)-β-D-galactopyranosylamin [German] [ACD/IUPAC Name]
2,3,4,6-Tetra-O-acetyl-N-(3-carboxypropanoyl)-β-D-galactopyranosylamine [ACD/IUPAC Name]
2,3,4,6-Tétra-O-acétyl-N-(3-carboxypropanoyl)-β-D-galactopyranosylamine [French] [ACD/IUPAC Name]
β-D-Galactopyranosylamine, N-(3-carboxy-1-oxopropyl)-, 2,3,4,6-tetraacetate [ACD/Index Name]
3-{[(2R,3R,4S,5S,6R)-3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]carbamoyl}propanoic acid
4-Oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)amino)butanoic acid
4-Oxo-4-(((2R,3R,4S,5S,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)amino)butanoicacid
83306-52-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.40
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 325.9±5.0 cm3

Click to predict properties on the Chemicalize site


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