Cas no 145265-22-1 (a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI))

a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI) structure
145265-22-1 structure
Product Name:a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI)
CAS No:145265-22-1
MF:C18H32O16
MW:504.437088012695
CID:224142
PubChem ID:197522
Update Time:2025-04-19

a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3)]- (9CI)
    • (2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • alpha-D-Galactopyranose, O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-galactopyranosyl-(1-3))-
    • alpha-Kolomiktriose
    • beta-D-galactopyranosyl beta-D-galactopyranosyl-(1->2)-alpha-D-galactopyranoside
    • 145265-22-1
    • DTXSID20162957
    • a-D-Galactopyranose, O-b-D-galactopyranosyl-(1®2)-O-[b-D-galactopyranosyl-(1®3)]- (9CI)
    • Inchi: 1S/C18H32O16/c19-1-4-7(22)10(25)13(28)16(30-4)33-15-12(27)9(24)6(3-21)32-18(15)34-17-14(29)11(26)8(23)5(2-20)31-17/h4-29H,1-3H2/t4-,5-,6-,7+,8+,9+,10+,11+,12+,13-,14-,15-,16+,17+,18-/m1/s1
    • InChI Key: ZZQBFMYCMRVZFG-NJYLIVSUSA-N
    • SMILES: O([C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)[C@H]1[C@@H](O[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)O[C@H](CO)[C@@H]([C@@H]1O)O

Computed Properties

  • Exact Mass: 504.169
  • Monoisotopic Mass: 504.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 641
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -5.8
  • Topological Polar Surface Area: 269?2

Experimental Properties

  • Density: 1.8
  • Boiling Point: 871.3°Cat760mmHg
  • Flash Point: 480.8°C
  • Refractive Index: 1.673
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