Cas no 35949-86-1 (b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-)

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- structure
35949-86-1 structure
Product Name:b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-
CAS No:35949-86-1
MF:C33H60O14
MW:680.821112632751
CID:307741
PubChem ID:10259020
Update Time:2024-02-29

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-
    • LogP
    • [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-octadec-9-enoate
    • gingerglycolipid C
    • β-D-Galactopyranoside, (2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-α-D-galactopyranosyl-
    • DTXSID501315879
    • Inchi： 1S/C33H60O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h9-10,22-24,26-35,37-42H,2-8,11-21H2,1H3/b10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
    • InChI Key： VROZOADUAPWACT-NYURTQROSA-N
    • SMILES： C([C@@H]1[C@@H]([C@H](O)[C@@H](O)[C@H](OC[C@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC)O1)O)O[C@@H]1[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO)O1)O

Computed Properties

  • Exact Mass: 680.398307
  • Monoisotopic Mass: 680.398307
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 24
  • Complexity: 887
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 225

Experimental Properties

  • Density: 1.27
  • Boiling Point: 787.7°Cat760mmHg
  • Flash Point: 236.2°C
  • Refractive Index: 1.556
  • pka: 12.86±0.70(Predicted)

b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl- Related Literature

Related Categories

35949-86-1 (b-D-Galactopyranoside,(2S)-2-hydroxy-3-[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]propyl 6-O-a-D-galactopyranosyl-) Related Products

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