Cas no 58214-47-4 (D-Mannose, O-a-D-galactopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-)

D-Mannose, O-a-D-galactopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)- structure
58214-47-4 structure
Product Name:D-Mannose, O-a-D-galactopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-
CAS No:58214-47-4
MF:C18H32O16
MW:504.437088012695
CID:379314
PubChem ID:181176
Update Time:2025-04-19

D-Mannose, O-a-D-galactopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)- Chemical and Physical Properties

Names and Identifiers

    • (2S,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
    • 6)-O-b-D-mannopyranosyl-(1&reg
    • DTXSID70206956
    • (2S,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-((2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)oxyhexanal
    • 58214-47-4
    • D-Mannose, O-alpha-D-galactopyranosyl-(1-6)-O-beta-D-mannopyranosyl-(1-4)-
    • D-Mannose, O-a-D-galactopyranosyl-(1®6)-O-b-D-mannopyranosyl-(1®4)-
    • Inchi: 1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6-,7-,8-,9-,10+,11-,12+,13+,14-,15+,16-,17+,18+/m1/s1
    • InChI Key: ZCLAHGAZPPEVDX-JOESZDGZSA-N
    • SMILES: O1[C@H]([C@H]([C@H]([C@@H]([C@H]1CO[C@@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O)O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@@H](C=O)O)O

Computed Properties

  • Exact Mass: 504.16903493g/mol
  • Monoisotopic Mass: 504.16903493g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 11
  • Complexity: 625
  • 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: -7.2
  • Topological Polar Surface Area: 277?2
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