Cas no 106444-87-5 (Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester)

Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester structure
106444-87-5 structure
Product Name:Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester
CAS No:106444-87-5
MF:C30H53NO18
MW:715.737731695175
CID:184723
PubChem ID:129604
Update Time:2025-04-19

Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 8-methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranoside
    • 2)-O-a-D-mannopyranosyl-(1&reg
    • Madgmm
    • methyl 9-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-beta-D-mannopyranosyl]oxy}nonanoate
    • SCHEMBL8744639
    • Methyl 9-({2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->2)hexopyranosyl-(1->6)hexopyranosyl}oxy)nonanoate
    • DTXSID30910002
    • methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxynonanoate
    • 106444-87-5
    • Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester
    • Inchi： 1S/C30H53NO18/c1-14(34)31-19-23(39)20(36)15(11-32)46-28(19)49-27-25(41)21(37)16(12-33)47-30(27)45-13-17-22(38)24(40)26(42)29(48-17)44-10-8-6-4-3-5-7-9-18(35)43-2/h15-17,19-30,32-33,36-42H,3-13H2,1-2H3,(H,31,34)/t15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30+/m1/s1
    • InChI Key： YCZQLWYIQGIWNG-MEPBBHJSSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)NC(C)=O)[C@@H]1[C@@H](OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](OCCCCCCCCC(=O)OC)O2)O)O)O)O[C@H](CO)[C@H]([C@@H]1O)O

Computed Properties

  • Exact Mass: 715.326
  • Monoisotopic Mass: 715.326
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 19
  • Complexity: 995
  • 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: -3.3
  • Topological Polar Surface Area: 293?2

Experimental Properties

  • Density: 1.46
  • Boiling Point: 967.5°Cat760mmHg
  • Flash Point: 539°C
  • Refractive Index: 1.586

Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester Related Literature

Related Categories

106444-87-5 (Nonanoic acid,9-[[O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1®2)-O-a-D-mannopyranosyl-(1®6)-b-D-mannopyranosyl]oxy]-, methyl ester) Related Products

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