Cas no 106054-18-6 (D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-)

D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- structure
106054-18-6 structure
Product Name:D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
CAS No:106054-18-6
MF:C14H25NO9
MW:351.349605321884
CID:144892
PubChem ID:194720
Update Time:2025-04-19

D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- Chemical and Physical Properties

Names and Identifiers

    • D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
    • Validoxylamine G
    • 1-(hydroxymethyl)-5-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexane-1,2,3,4-tetrol
    • D-epi-Inositol, 3,4-dideoxy-2-C-(hydroxymethyl)-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1S-(1alpha,4alpha,5beta,6alpha))-
    • 3,4-Dideoxy-2-C-hydroxymethyl-4-[[(1S)-4β,5α,6β-trihydroxy-3-hydroxymethyl-2-cyclohexen-1β-yl]amino]-D-epi-inositol
    • DTXSID20909884
    • SCHEMBL5158027
    • CHEBI:222391
    • 106054-18-6
    • RZSPTXNJXPJAAB-UHFFFAOYSA-N
    • 1-(hydroxymethyl)-5-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexane-1,2,3,4-tetrol
    • (+)-Validoxylamine G
    • Inchi： 1S/C14H25NO9/c16-3-5-1-6(9(19)11(21)8(5)18)15-7-2-14(24,4-17)13(23)12(22)10(7)20/h1,6-13,15-24H,2-4H2
    • InChI Key： RZSPTXNJXPJAAB-UHFFFAOYSA-N
    • SMILES： OC1(CO)C(C(C(C(C1)NC1C=C(CO)C(C(C1O)O)O)O)O)O

Computed Properties

  • Exact Mass: 351.15295
  • Monoisotopic Mass: 351.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 475
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -5.2
  • Topological Polar Surface Area: 194?2

Experimental Properties

  • Density: 1.71
  • Boiling Point: 619.5°Cat760mmHg
  • Flash Point: 226.3°C
  • Refractive Index: 1.705
  • PSA: 194.1

D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]- Related Literature

Related Categories

106054-18-6 (D-epi-Inositol,3,4-dideoxy-2-C-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-) Related Products

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