Cas no 130812-69-0 (D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-)

D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- structure
130812-69-0 structure
Product Name:D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
CAS No:130812-69-0
MF:C26H45NO18
MW:659.631410360336
CID:154208
PubChem ID:3083161
Update Time:2025-04-19

D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- Chemical and Physical Properties

Names and Identifiers

    • 2-[[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • Validamycin H
    • 2,3-dihydroxy-6-(hydroxymethyl)-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl 6-O-hexopyranosylhexopyranoside
    • 4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
    • 6)-O-b-D-glucopyranosyl-(1&reg
    • D-chiro-Inositol, O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosy l-(1-4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydro xymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha)) -
    • D-chiro-Inositol, O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))-
    • DTXSID30926921
    • 6''-O-beta-Glucopyranosylvalidamycin A
    • 130812-69-0
    • 12650-72-5
    • SCHEMBL5158901
    • D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
    • Inchi： 1S/C26H45NO18/c28-3-7-1-9(14(32)18(36)13(7)31)27-10-2-8(4-29)24(21(39)15(10)33)45-26-23(41)20(38)17(35)12(44-26)6-42-25-22(40)19(37)16(34)11(5-30)43-25/h1,8-41H,2-6H2
    • InChI Key： FSQHOQRBXQDUST-UHFFFAOYSA-N
    • SMILES： O(C1C(C(C(C(COC2C(C(C(C(CO)O2)O)O)O)O1)O)O)O)C1C(C(C(CC1CO)NC1C=C(CO)C(C(C1O)O)O)O)O

Computed Properties

  • Exact Mass: 659.26365
  • Monoisotopic Mass: 659.264
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 45
  • Rotatable Bond Count: 10
  • Complexity: 978
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -8.4
  • Topological Polar Surface Area: 332?2

Experimental Properties

  • Density: 1.74
  • Boiling Point: 981.4°Cat760mmHg
  • Flash Point: 547.3°C
  • Refractive Index: 1.699
  • PSA: 332.17

D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- Related Literature

Related Categories

130812-69-0 (D-chiro-Inositol, O-b-D-glucopyranosyl-(1®6)-O-b-D-glucopyranosyl-(1®4)-1,5,6-trideoxy-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-) Related Products

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