Cas no 18463-25-7 (Nigracin)

Nigracin structure
Nigracin structure
Product Name:Nigracin
CAS No:18463-25-7
MF:C20H22O9
MW:406.383286952972
MDL:MFCD20260826
CID:183428
PubChem ID:3084295
Update Time:2025-04-19

Nigracin Chemical and Physical Properties

Names and Identifiers

    • Nigracin
    • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-hydroxy-2-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
    • poliothrysoside
    • Poliothyrosid
    • poliothyrsoside
    • polyothyrsoside
    • Xylosmoside
    • beta-D-Glucopyranoside 4-hydroxy-2-(hydroxymethyl)phenyl 6-benzoate
    • [ "Poliothyrsoside" ]
    • HY-N3190
    • AKOS032948709
    • TRIBUTYLTINCHLOROACETATE
    • beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate
    • 18463-25-7
    • DTXSID10939852
    • FS-10508
    • CS-0023537
    • CHEMBL512419
    • Poliothyrsoside; Xylosmoside
    • NCGC00385097-01_C20H22O9_beta-D-Glucopyranoside, 4-hydroxy-2-(hydroxymethyl)phenyl, 6-benzoate
    • NCGC00385097-01
    • ((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-hydroxy-2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl benzoate
    • 4-Hydroxy-2-(hydroxymethyl)phenyl 6-O-benzoylhexopyranoside
    • Glucopyranoside, alpha,4-dihydroxy-o-tolyl, 6-benzoate
    • DA-66093
    • MDL: MFCD20260826
    • Inchi: 1S/C20H22O9/c21-9-12-8-13(22)6-7-14(12)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
    • InChI Key: FLROYCKIIJCTDY-BFMVXSJESA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C1C=CC=CC=1)=O)O)O)O)OC1C=CC(=CC=1CO)O

Computed Properties

  • Exact Mass: 406.12600
  • Monoisotopic Mass: 406.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 7
  • Complexity: 524
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 146A^2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.485
  • Boiling Point: 677.6°Cat760mmHg
  • Flash Point: 241°C
  • Refractive Index: 1.652
  • PSA: 145.91000
  • LogP: -0.07210
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

Nigracin Security Information

Nigracin Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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