Cas no 110101-22-9 (D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy-)

D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy- structure
110101-22-9 structure
Product Name:D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy-
CAS No:110101-22-9
MF:C22H38N2O16
MW:586.5409283638
CID:166230
PubChem ID:3082546
Update Time:2025-04-19

D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy- Chemical and Physical Properties

Names and Identifiers

    • desialylated human Cad antigenic determinant
    • D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1&reg
    • N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamid
    • 2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-(acetylamino)-2-deoxy-D-galactose
    • 3)-2-(acetylamino)-2-deoxy
    • 3)-2-(acetylamino)-2-deoxy-
    • 4)-O-b-D-galactopyranosyl-(1&reg
    • D-Galactose, O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-4)-O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-
    • DS-Cad
    • O-(2-Acetamido-2-deoxygalactopyranosyl)(1-4)-O-galactopyranosyl(1-3)-2-acetamido-2-deoxygalactopyranose
    • DTXSID80149143
    • 110101-22-9
    • N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R)-5-acetamido-1,2-dihydroxy-6-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
    • D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy-
    • Inchi： 1S/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
    • InChI Key： ASGUPKXCDOJNJC-IHQAUTJNSA-N
    • SMILES： O([C@@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(C)=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)NC(C)=O

Computed Properties

  • Exact Mass: 586.222
  • Monoisotopic Mass: 586.222
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 13
  • Complexity: 837
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.6
  • Topological Polar Surface Area: 294?2

Experimental Properties

  • Density: 1.6
  • Boiling Point: 1091.6°C at 760 mmHg
  • Flash Point: 614°C
  • Refractive Index: 1.617

D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy- Related Literature

110101-22-9 (D-Galactose,O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®4)-O-b-D-galactopyranosyl-(1®3)-2-(acetylamino)-2-deoxy-) Related Products

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