Cas no 138-53-4 (Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-)

Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)- structure
138-53-4 structure
Product Name:Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-
CAS No:138-53-4
MF:C14H17NO6
MW:295.287884473801
CID:156237
PubChem ID:120639
Update Time:2025-04-19

Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)-
    • 2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
    • prunasin
    • (2R)-(beta-D-glucopyranosyloxy)(phenyl)ethanenitrile
    • (beta-D-glucopyranosyloxy)(phenyl)acetonitrile
    • mandelonitrile glucoside
    • PRULAURASIN
    • UNII-4J1L0618WK
    • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)-
    • NCGC00168992-02
    • SCHEMBL440675
    • AKOS040752923
    • mandelonitrile beta-D-glucoside
    • alpha-Cyanobenzyl beta-D-glucopyranoside
    • BRD-A06421966-001-01-9
    • BENZENEACETONITRILE, .ALPHA.-(.BETA.-D-GLUCOPYRANOSYLOXY)-
    • 2-phenyl-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}acetonitrile
    • alpha-(beta-D-Glucopyranosyloxy)benzeneacetonitrile
    • NCGC00168992-01
    • (DL)-Prunasin
    • 138-53-4
    • Q27893921
    • .ALPHA.-CYANOBENZYL .BETA.-D-GLUCOPYRANOSIDE
    • mandelonitrile beta-D-glucopyranoside
    • D,L-Mandelonitrile-beta-D-glucoside
    • MANDELONITRILE GLUCOSIDE [MI]
    • MEGxp0_000351
    • alpha-(beta-D-Glucopyranosyloxy)-Benzeneacetonitrile
    • MANDELONITRILE GLUCOSIDE DL-FORM
    • MANDELONITRILE GLUCOSIDE DL-FORM [MI]
    • Benzeneacetonitrile, alpha-(beta-D-glucopyranosyloxy)- (9CI)
    • DTXSID801020158
    • 4J1L0618WK
    • CHEBI:25150
    • ACon1_000529
    • MANDELONITRILE .BETA.-D-GLUCOPYRANOSIDE
    • MANDELONITRILE GLUCOSIDE [WHO-DD]
    • 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-MXNNCRBYSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC(C#N)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 295.106
  • Monoisotopic Mass: 295.106
  • 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: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 123?2

Experimental Properties

  • Density: 1.2393 (rough estimate)
  • Melting Point: 122°C
  • Boiling Point: 436.98°C (rough estimate)
  • Flash Point: 272.5°C
  • Refractive Index: 1.4365 (estimate)

Benzeneacetonitrile, a-(b-D-glucopyranosyloxy)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TargetMol Chemicals
T33174-5 mg
Mandelonitrile glucoside
 138-53-4 98%
5mg
 ￥ 7,000 2023-07-10

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