Cas no 15548-43-3 (D-Mannopyranose, 4-O-b-D-mannopyranosyl-)

D-Mannopyranose, 4-O-b-D-mannopyranosyl- structure
15548-43-3 structure
Product Name:D-Mannopyranose, 4-O-b-D-mannopyranosyl-
CAS No:15548-43-3
MF:C12H22O11
MW:342.296485424042
CID:121057
PubChem ID:152109
Update Time:2025-04-18

D-Mannopyranose, 4-O-b-D-mannopyranosyl- Chemical and Physical Properties

Names and Identifiers

    • D-Mannopyranose, 4-O-b-D-mannopyranosyl-
    • (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    • mannobiose
    • 4-O-
    • SCHEMBL162205
    • A-D-Mannopyranosyl-D-mannose
    • BDH pure salt
    • D-Mannopyranose, 4-O-beta-D-mannopyranosyl-
    • CHEBI:25164
    • 4-O-D-mannopyranosyl-D-mannose
    • C20861
    • beta-1,4-D-mannobiose
    • GUBGYTABKSRVRQ-KWCWEWCRSA-N
    • beta-D-mannopyranosyl-(1->4)-D-mannose
    • W-201259
    • beta-1,4-Mannobiose
    • 4-O-(beta-D-Mannopyranosyl)-D-mannose
    • beta-D-mannopyranosyl-(1->4)-D-mannopyranose
    • Mannopyranose, 4-O-beta-D-mannopyranosyl-
    • DTXSID301282739
    • Q27109869
    • Mannopyranose, 4-O-beta-D-mannopyranosyl-, D-
    • 15548-43-3
    • 4-O-beta-D-Mannopyranosyl-D-mannopyranose
    • Inchi: 1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11?,12+/m1/s1
    • InChI Key: GUBGYTABKSRVRQ-KWCWEWCRSA-N
    • SMILES: O([C@H]1[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)[C@@H]1[C@@H](CO)OC([C@H]([C@H]1O)O)O

Computed Properties

  • Exact Mass: 342.116
  • Monoisotopic Mass: 342.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190A^2
  • XLogP3: -4.7

Experimental Properties

  • Density: 1.76g/cm3
  • Boiling Point: 667.9oC at 760mmHg
  • Flash Point: 357.8oC
  • Refractive Index: 1.652
  • PSA: 189.53000
  • LogP: -5.39720
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