Cas no 153153-62-9 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-)

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy- structure
153153-62-9 structure
Product Name:D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-
CAS No:153153-62-9
MF:C20H35NO18S
MW:609.552807092667
CID:99009
PubChem ID:102602599
Update Time:2025-04-18

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy- Chemical and Physical Properties

Names and Identifiers

    • 2-ACETAMIDO-2-DEOXY-4-O-(3-SULFO-A-D-GALACTOPYRANOSYL)-3-O-(A-L-FUCOPYRANOSYL)-D-GLUCOPYRANOSIDE
    • 4)]-2-(acetylamino)-2-deoxy-
    • 3'-Sulfatyl Lewis X
    • 2-Acetamido-2-deoxy-4-O-(3-sulfo-a-D-galactopyranosyl)-3-O-(a-L-fucopyranosyl)-D-glucopyranose
    • O-6-Deoxy-alpha-L-galactopyranosyl-(1-3)-O-[3-O-sulfo-beta-D-galactopyranosyl-(1-4)]-2-(acetylamino)-2-deoxy-D-glucose
    • [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
    • 153153-62-9
    • D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®3)-O-[3-O-sulfo-b-D-galactopyranosyl-(1®4)]-2-(acetylamino)-2-deoxy-
    • Inchi: 1S/C20H35NO18S/c1-5-10(25)12(27)13(28)19(34-5)38-16-9(21-6(2)24)18(30)35-8(4-23)15(16)37-20-14(29)17(39-40(31,32)33)11(26)7(3-22)36-20/h5,7-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)(H,31,32,33)/t5-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16-,17+,18?,19-,20+/m1/s1
    • InChI Key: SQDFRWJUKVCUOT-UHHKXACBSA-N
    • SMILES: S(=O)(=O)(O)O[C@H]1[C@H]([C@@H](CO)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](CO)OC([C@@H]([C@H]1O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O)O)NC(C)=O)O)O

Computed Properties

  • Exact Mass: 609.15700
  • Monoisotopic Mass: 609.15748444g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 9
  • Complexity: 950
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.2
  • Topological Polar Surface Area: 309?2

Experimental Properties

  • Density: 1.71±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Slightly soluble (7.3 g/l) (25 o C),
  • PSA: 309.07000
  • LogP: -5.10280
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