Cas no 550-72-1 (6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-D-glucose)

6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-D-glucose structure
550-72-1 structure
Product Name:6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-D-glucose
CAS No:550-72-1
MF:C18H32O14
MW:472.438287734985
CID:1592843
Update Time:2024-03-01

6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-D-glucose Chemical and Physical Properties

Names and Identifiers

    • 6-deoxy-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-(1->3)]-D-glucose
    • (2R,3S,4R,5R)-4,5,6-trihydroxy-2,3-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]hexanal
    • D-Glucose, O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[6-deoxy-α-L-mannopyranosyl-(1→4)]-
    • Inchi: 1S/C18H32O14/c1-5-9(22)12(25)14(27)17(29-5)31-8(4-20)16(11(24)7(21)3-19)32-18-15(28)13(26)10(23)6(2)30-18/h4-19,21-28H,3H2,1-2H3
    • InChI Key: OBJGCSPUFIIVBS-UHFFFAOYSA-N
    • SMILES: CC1OC(OC(C(OC2OC(C)C(O)C(O)C2O)C(O)C(O)CO)C=O)C(O)C(O)C1O

Computed Properties

  • Exact Mass: 472.179206
  • Monoisotopic Mass: 472.179206
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 9
  • Complexity: 594
  • 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
  • Topological Polar Surface Area: 236

Experimental Properties

  • Density: 1.61
  • Boiling Point: 855.8°C at 760 mmHg
  • Flash Point: 297.2°C
  • Refractive Index: 1.613
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