Cas no 78025-06-6 (D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI))

D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI) structure
78025-06-6 structure
Product Name:D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI)
CAS No:78025-06-6
MF:C31H55NO24
MW:825.760712862015
CID:573300
PubChem ID:174107
Update Time:2025-04-19

D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • oligostatin C
    • 4-[5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino]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
    • 4)- (9CI)
    • 4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1&reg
    • 4)-O-a-D-glucopyranosyl-(1&reg
    • D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1&reg
    • Antibiotic SF 1130X3
    • D-Glucose, O-4,6-dideoxy-4-((2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl)amino)-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-4)-, (1S-(1-alpha,2-alpha,3-beta,4-alpha,5-beta,6-beta))-
    • Antibiotic SF 1130 X(sub 3)
    • CHEBI:225110
    • DTXSID80999281
    • 78025-06-6
    • SCHEMBL5159710
    • SF 1130 X(sub 3)
    • 4,6-dideoxy-4-{[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino}hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexose
    • 4-[5-[5-[3,4-dihydroxy-6-methyl-5-[[2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl]amino]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
    • SF 1130X3
    • D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI)
    • Inchi: 1S/C31H55NO24/c1-7-13(32-14-15(40)8(2-33)16(41)20(45)19(14)44)18(43)23(48)29(51-7)55-27-11(5-36)53-31(25(50)22(27)47)56-28-12(6-37)52-30(24(49)21(28)46)54-26(10(39)4-35)17(42)9(38)3-34/h3,7-33,35-50H,2,4-6H2,1H3
    • InChI Key: FMMZPCNEGIECQB-UHFFFAOYSA-N
    • SMILES: O1C(C(C(C(C1C)NC1C(C(C(C(CO)C1O)O)O)O)O)O)OC1C(CO)OC(C(C1O)O)OC1C(CO)OC(C(C1O)O)OC(C(CO)O)C(C(C=O)O)O

Computed Properties

  • Exact Mass: 825.311402
  • Monoisotopic Mass: 825.311402
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 18
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 56
  • Rotatable Bond Count: 16
  • Complexity: 1210
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 25
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 428
  • XLogP3: -11.1

Experimental Properties

  • Density: 1.76
  • Boiling Point: 1212.3°C at 760 mmHg
  • Flash Point: 687°C
  • Refractive Index: 1.683

D-Glucose,N-1,5-dideoxy-5-(hydroxymethyl)-D-chiro-inositol-1-yl-(1®4)-O-4-amino-4,6-dideoxy-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)-O-a-D-glucopyranosyl-(1®4)- (9CI) Related Literature

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