Cas no 117978-16-2 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI))

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI) structure
117978-16-2 structure
Product Name:D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI)
CAS No:117978-16-2
MF:C41H70N2O32
MW:1102.98871660233
CID:152522
PubChem ID:164055
Update Time:2025-04-19

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-[2-[3-acetamido-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(
    • sialyl-Le(a) oligosaccharide
    • 3)]-O-2-(acetyl
    • 3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1&reg
    • 3)-b-D-galactopyranosyl-(1&reg
    • 3)-O-b-D-galactopyranosyl-(1&reg
    • 4)- (9CI)
    • 5-amino-3,5-dideoxynon-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-[6-deoxyhexopyranosyl-(1->4)]-2-(acetylami
    • D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-4)-O-(O-alpha-neuraminosyl-(2-3)-beta-D-galactopyranosyl-(1-3))-O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-3)-
    • Neuacalpha2-3Galbeta1-4-fucalpha1-glcnacbeta1-3Galbeta1-4Glc
    • Sialylated lacto-N-fucopentaose II
    • 2-[2-[3-acetamido-2-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
    • 117978-16-2
    • DTXSID50922581
    • 5-Amino-3,5-dideoxynon-2-ulopyranonosyl-(2->3)hexopyranosyl-(1->3)-[6-deoxyhexopyranosyl-(1->4)]-2-deoxy-2-[(1-hydroxyethylidene)amino]hexopyranosyl-(1->3)hexopyranosyl-(1->4)hexose
    • D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI)
    • Inchi： 1S/C41H70N2O32/c1-10-21(55)26(60)27(61)37(66-10)71-31-18(9-49)69-36(73-34-24(58)16(7-47)67-38(28(34)62)70-30(15(54)6-46)22(56)13(52)4-44)20(43-11(2)50)33(31)72-39-29(63)35(25(59)17(8-48)68-39)75-41(40(64)65)3-12(51)19(42)32(74-41)23(57)14(53)5-45/h4,10,12-39,45-49,51-63H,3,5-9,42H2,1-2H3,(H,43,50)(H,64,65)
    • InChI Key： GWBANRIMYAAKQB-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(CO)O1)O)OC1(C(=O)O)CC(C(C(C(C(CO)O)O)O1)N)O)O)C1C(C(OC2C(C(OC(C(CO)O)C(C(C=O)O)O)OC(CO)C2O)O)OC(CO)C1OC1C(C(C(C(C)O1)O)O)O)NC(C)=O

Computed Properties

  • Exact Mass: 1102.3911
  • Monoisotopic Mass: 1102.391
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 21
  • Hydrogen Bond Acceptor Count: 33
  • Heavy Atom Count: 75
  • Rotatable Bond Count: 23
  • Complexity: 1820
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 30
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -14.9
  • Topological Polar Surface Area: 566?2

Experimental Properties

  • Density: 1.76
  • Boiling Point: 1461.9°Cat760mmHg
  • Flash Point: 837.9°C
  • Refractive Index: 1.677
  • PSA: 565.93

D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI) Related Literature

117978-16-2 (D-Glucose, O-6-deoxy-a-L-galactopyranosyl-(1®4)-O-[O-a-neuraminosyl-(2®3)-b-D-galactopyranosyl-(1®3)]-O-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1®3)-O-b-D-galactopyranosyl-(1®4)- (9CI)) Related Products

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