Cas no 63492-69-3 (Lithospermoside)

Lithospermoside structure
Lithospermoside structure
Product Name:Lithospermoside
CAS No:63492-69-3
MF:C14H19NO8
MW:329.30256485939
MDL:MFCD20527295
CID:518068
PubChem ID:10065132
Update Time:2025-04-19

Lithospermoside Chemical and Physical Properties

Names and Identifiers

    • Acetonitrile,2-[(4R,5S,6S)-6-(b-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-,(2Z)-
    • Acetonitrile,2-[(4R,5S,6S)-6-(b-D-glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]-,(2...
    • Griffonin
    • Lithospermoside
    • Lithospermum ruderale glycoside
    • Lithospermosid
    • lithosprMoside
    • NSC 290807
    • (2Z)-2-[(4R,5S,6S)-6-(beta-D-Glucopyranosyloxy)-4,5-dihydroxy-2-cyclohexen-1-ylidene]acetonitrile
    • N2381
    • (2E)-2-[(4R,5S,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy
    • A14769
    • (2E)-2-[(4R,5S,6S)-4,5-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy
    • HY-N0821
    • (2Z)-2-[(4R,5S,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
    • CHEBI:81324
    • CHEMBL1817899
    • DTXSID101317116
    • s9073
    • CCG-267800
    • CS-0009854
    • Q27155262
    • 63492-69-3
    • SCHEMBL21034847
    • C17771
    • AKOS037514726
    • AC-30270
    • (Z)-2-((4R,5S,6S)-4,5-Dihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohex-2-en-1-ylidene)acetonitrile
    • AS-76615
    • DA-65011
    • MDL: MFCD20527295
    • Inchi: 1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1
    • InChI Key: WIIDBJNWXCWLKF-VVAXPEBGSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@@H]([C@H]([C@@H]1O[C@H]1/C(=C\C#N)/C=C[C@H]([C@@H]1O)O)O)O)O

Computed Properties

  • Exact Mass: 329.11100
  • Monoisotopic Mass: 329.11106656 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 526
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.3
  • Topological Polar Surface Area: 164
  • Molecular Weight: 329.30

Experimental Properties

  • Color/Form: Powder
  • Density: 1.61
  • Melting Point: 271 oC (dec.)
  • Boiling Point: 662.4±55.0 °C at 760 mmHg
  • Flash Point: 354.4±31.5 °C
  • Refractive Index: 1.654
  • PSA: 163.63000
  • LogP: -3.08692
  • Vapor Pressure: 0.0±4.6 mmHg at 25°C

Lithospermoside Security Information

Lithospermoside Pricemore >>

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Lithospermoside Production Method

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