Cas no 138521-26-3 (b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl-)

b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl- structure
138521-26-3 structure
Product Name:b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl-
CAS No:138521-26-3
MF:C37H64O15
MW:748.895073890686
CID:222380
PubChem ID:6440367
Update Time:2025-04-19

b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl-
    • [(1R,2S,3R,5S,7S)-1,2,5,7-tetrahydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,6-dioxabicyclo[3.1.1]heptan-7-yl] (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyltetra
    • b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyrano
    • CCRIS 8001
    • (S-(Z,Z))-3-((1-OXO-9,12-OCTADIENYL)OXY)2-((1-OXOTETRADECYL)OXY)PROPYL6-O-ALPHA-D-GALACTOPYRANOSYL-B ETA-D-GALACTOPYRANOSIDE
    • 138521-26-3
    • (S-(Z,Z))-3-((1-Oxo-9,12-octadienyl)oxy)2-((1-oxotetradecyl)oxy)propyl 6-O-alpha-D-galactopyranosyl-beta-D-galactopyranoside
    • Inchi： 1S/C37H64O15/c1-4-7-8-9-13-16-22-47-26(6-3)21-20-25(17-5-2)18-14-11-10-12-15-19-29(39)51-36(45)35(44)33(43)28(50-37(36,46)52-35)24-48-34-32(42)31(41)30(40)27(23-38)49-34/h9,13,16,22,25-28,30-34,38,40-46H,4-8,10-12,14-15,17-21,23-24H2,1-3H3/b13-9-,22-16-/t25?,26-,27+,28+,30-,31-,32+,33-,34-,35+,36-,37-/m0/s1
    • InChI Key： DQPJPBFMOJZFHH-SEMPJPPCSA-N
    • SMILES： O1[C@@]2([C@@]([C@]1([C@H]([C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O2)O)O)(O)OC(CCCCCCCC(CCC)CC[C@H](CC)O/C=C\C=C/CCCC)=O)O

Computed Properties

  • Exact Mass: 748.42462
  • Monoisotopic Mass: 748.42452133g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 52
  • Rotatable Bond Count: 26
  • Complexity: 1110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 234?2

Experimental Properties

  • PSA: 234.29

b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl- Related Literature

Related Categories

138521-26-3 (b-D-Galactopyranoside,(2S)-3-[[(9Z,12Z)-1-oxo-9,12-octadecadien-1-yl]oxy]-2-[(1-oxotetradecyl)oxy]propyl6-O-a-D-galactopyranosyl-) Related Products

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