bis(ethane)

• ChemBase ID: 175086
• Molecular Formular: C4H12
• Molecular Mass: 60.13808
• Monoisotopic Mass: 60.09390038
• SMILES: CC.CC
• Canonical SMILES: CC.CC
• InChI: InChI=1S/2C2H6/c2*1-2/h2*1-2H3
• InChIKey: KOWXKIHEBFTVRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(ethane)
• IUPAC Traditional name: bis(ethane)
• Synonyms: O-2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-2)-O-α-D-mannopyranosyl-(1-3)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-2)-α-D-mannopyranosyl-(1-6)]-O-β-D-mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-D-glucose; NGA2 Glycan

Database IDs

• CAS Number: 84808-02-6
• PubChem SID: 164230996
• PubChem CID: 54005949

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3528632
• LogD (pH = 7.4): 1.3528632
• Log P: 1.3528632
• Molar Refractivity: 11.0042 cm^3
• Polarizability: 4.4441743 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - N393000

A hepatocellular carcinoma marker comprising a sugar chain in body fluid collected from a test animal is provided, which can be used in a hepatocellular carcinoma diagnosis method, particularly a differential diagnosis between cirrhosis and hepatocellular

REFERENCES

• Kasturi, L., et al.: J. Biol. Chem., 270, 14756 (1995)
• Kasturi, L., et al.: Biochem. J., 323, 415 (1995)
• Saphire, E., et al.: Science, 293, 1155 (20010,