Cas no 99-19-4 ((S)-Prunasin)

(S)-Prunasin structure
(S)-Prunasin structure
Product Name:(S)-Prunasin
CAS No:99-19-4
MF:C14H17NO6
MW:295.287884473801
CID:1002787
PubChem ID:91434
Update Time:2025-09-27

(S)-Prunasin Chemical and Physical Properties

Names and Identifiers

    • (S)-Prunasin
    • (2S)-sambunigrin
    • NSC-782175
    • MANDELONITRILE GLUCOSIDE L-FORM [MI]
    • BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-, (.ALPHA.S)-
    • (alphaS)-alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile
    • L-Prunasin
    • (2S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile
    • MANDELONITRILE GLUCOSIDE L-FORM
    • (S)-Mandelonitrile beta-D-glucoside
    • 9UZJ2ZO1HS
    • S-Prunasin
    • Sambunigrin ((S)-Prunasin)
    • C04273
    • Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-, (aS)-
    • CHEBI:27761
    • AKOS030531714
    • NS00094438
    • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-, (alphaS)-
    • (2S)-2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
    • 99-19-4
    • Q2217000
    • (2S)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
    • NSC782175
    • DTXSID00912912
    • Sambunigrin
    • UNII-9UZJ2ZO1HS
    • (S)-2-Phenyl-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)acetonitrile
    • XP175789
    • (2R)-Prunasin
    • Prunasin
    • (-)-(2R)-Prunasin
    • (-)-Prunasin
    • ZKSZEJFBGODIJW-YOVYLDAJSA-N
    • (?S)-?-(?-D-Glucopyranosyloxy)benzeneacetonitrile; L-Prunasin; Sambunigrin; (2S)-Sambunigrin;
    • Inchi： 1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1
    • InChI Key： ZKSZEJFBGODIJW-YOVYLDAJSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@H](C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 295.10600
  • Monoisotopic Mass: 295.105587
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 377
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _0.7
  • Topological Polar Surface Area: 123

Experimental Properties

  • Density: 1.45
  • Boiling Point: 527°C at 760 mmHg
  • Flash Point: 272.5°C
  • Refractive Index: 1.621
  • PSA: 123.17000
  • LogP: -0.93222

(S)-Prunasin Pricemore >>

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TargetMol Chemicals
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