Cas no 91284-30-9 (3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole)

3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole structure
91284-30-9 structure
Product Name:3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole
CAS No:91284-30-9
MF:C18H20N2O6
MW:360.361205101013
CID:1962459
PubChem ID:174828
Update Time:2025-04-21

3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole Chemical and Physical Properties

Names and Identifiers

    • 3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole
    • beta-D-Ribo-hexopyranuronic acid, 1-(3-(cyanomethyl)-4-methoxy-1H-indol-1-yl)-1,4-dideoxy-, (SP-4-1)-
    • Methyl (3-cyanomethyl-4-methoxyindol-1-yl-4-deoxy-alpha-D-lyxo-hexopyranosid)uronate
    • DTXSID50919855
    • Methyl 2-(3-cyanomethyl-4-methoxyindol-1-yl)-3,4-dihydroxytetrahydropyran-6-carboxylate
    • Antibiotic SF 2140
    • methyl (2S,4S,5S,6S)-6-[3-(cyanomethyl)-4-methoxyindol-1-yl]-4,5-dihydroxyoxane-2-carboxylate
    • 91284-30-9
    • 3-(Cyanomethyl)-1-(4-deoxy-6-methylhexopyranosyluronosyl)-4-methoxy-1H-indole
    • Methyl-(3-cyanomethyl-4-methoxyindole-1-yl-N-(4-deoxy-alpha lyxo-hexopyranoside))uronate
    • SF 2140
    • SF-2140
    • alpha-D-lyxo-Hexopyranuronic acid, 1-(3-(cyanomethyl)-4-methoxy-1H-indol-1-yl)-1,4-dideoxy-, methyl ester
    • Inchi： 1S/C18H20N2O6/c1-24-13-5-3-4-11-15(13)10(6-7-19)9-20(11)17-16(22)12(21)8-14(26-17)18(23)25-2/h3-5,9,12,14,16-17,21-22H,6,8H2,1-2H3/t12-,14-,16-,17-/m0/s1
    • InChI Key： HTFYSSZLIDVAIP-CSFVBSKPSA-N
    • SMILES： O1[C@H](C(=O)OC)C[C@@H]([C@@H]([C@H]1N1C=C(CC#N)C2C(=CC=CC1=2)OC)O)O

Computed Properties

  • Exact Mass: 360.132
  • Monoisotopic Mass: 360.132
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 563
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • Density: 1.41
  • Boiling Point: 613.5°C at 760 mmHg
  • Flash Point: 324.9°C
  • Refractive Index: 1.627

3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole Related Literature

Related Categories

91284-30-9 (3-(cyanomethyl)-1-(4-deoxy-6-methyl-alpha-D-lyxo-hexopyranosyluronosyl)-4-methoxy-1H-indole) Related Products

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