Cas no 145932-53-2 (D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-)

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- structure
145932-53-2 structure
Product Name:D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-
CAS No:145932-53-2
MF:C34H56O27
MW:896.792254447937
CID:146586
PubChem ID:3083414
Update Time:2025-04-19

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- Chemical and Physical Properties

Names and Identifiers

    • (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6
    • 4,6-O-3-Ketobutylidene maltopentaose
    • D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1&reg
    • 3KB-G5
    • 4)-O-a-D-glucopyranosyl-(1&reg
    • D-Glucose, O-4,6-O-(3-oxobutylidene)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-
    • 145932-53-2
    • (2R,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[[(4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-(2-oxopropyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
    • D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-
    • Inchi： 1S/C34H56O27/c1-9(40)2-16-52-8-15-30(57-16)21(47)25(51)34(56-15)61-29-14(7-39)55-33(24(50)20(29)46)60-28-13(6-38)54-32(23(49)19(28)45)59-27-12(5-37)53-31(22(48)18(27)44)58-26(11(42)4-36)17(43)10(41)3-35/h3,10-34,36-39,41-51H,2,4-8H2,1H3/t10-,11+,12+,13+,14+,15+,16?,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+/m0/s1
    • InChI Key： RIIUMFRKVWMIQP-PLTJGBMKSA-N
    • SMILES： O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@H]2[C@@H](COC(CC(C)=O)O2)O1)O)O)O)O)[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]([C@H]1O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O

Computed Properties

  • Exact Mass: 896.301
  • Monoisotopic Mass: 896.301
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 27
  • Heavy Atom Count: 61
  • Rotatable Bond Count: 18
  • Complexity: 1380
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 24
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -11.3
  • Topological Polar Surface Area: 430?2

D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- Related Literature

145932-53-2 (D-Glucose,O-4,6-O-(3-oxobutylidene)-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-) Related Products

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