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Search term: FLXAKMSHXBTMLT-GQUPQBGVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2'-[(2-Acetamido-2-deoxy-beta-D-galactopyranosyl)oxy]-3-biphenylcarboxylic acid | C21H23NO8

2'-[(2-Acetamido-2-deoxy-β-D-galactopyranosyl)oxy]-3-biphenylcarboxylic acid

  • Molecular FormulaC21H23NO8
  • Average mass417.409 Da
  • Monoisotopic mass417.142365 Da
  • ChemSpider ID129191329

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2'-[[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]- [ACD/Index Name]
2'-[(2-Acetamido-2-deoxy-β-D-galactopyranosyl)oxy]-3-biphenylcarboxylic acid [ACD/IUPAC Name]
2'-[(2-Acetamido-2-desoxy-β-D-galactopyranosyl)oxy]-3-biphenylcarbonsäure [German] [ACD/IUPAC Name]
Acide 2'-[(2-acétamido-2-désoxy-β-D-galactopyranosyl)oxy]-3-biphénylcarboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4530691/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 407.4±32.9 °C
Index of Refraction: 1.658
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): -1.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 77.8±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

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