Cas no 157544-59-7 (O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose)

O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose structure
157544-59-7 structure
Product Name:O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose
CAS No:157544-59-7
MF:C18H32O16
MW:504.437088012695
CID:2916851
PubChem ID:6857717
Update Time:2024-03-01

O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose Chemical and Physical Properties

Names and Identifiers

    • O-β-D-glucopyranosyl-(1-4)-O-β-D-glucopyranosyl-(1-3)-β-D-glucose
    • 1,3:1,4-b-Glucotriose (B)
    • O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose
    • (2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
    • (2R,3R,4S,5R,6R)-4-(((2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol
    • WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a3-b1_b4-c1
    • 157544-59-7
    • beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranose
    • Glc(b1-4)Glc(b1-3)b-Glc
    • CHEBI:151947
    • Inchi： 1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-,13-,14-,15+,16-,17+,18+/m1/s1
    • InChI Key： NLCKNAHSPSUVER-YTJFHSSISA-N
    • SMILES： O([C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@H]1[C@@H]([C@@H](O)[C@H](O[C@]2([H])[C@H]([C@H](O)O[C@H](CO)[C@H]2O)O)O[C@@H]1CO)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: 7
  • Complexity: 641
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -6.3
  • Topological Polar Surface Area: 269?2

Experimental Properties

  • Density: 1.80±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 232-237 oC
  • Solubility: Dissolution (38 g/l) (25 o C),

O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranose Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
A2B Chem LLC
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1,3:1,4-b-Glucotriose (B)
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 $544.00 2024-04-20
A2B Chem LLC
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