Cas no 19764-36-4 (4-methoxycinnamyl beta-D-glucopyranoside)

4-methoxycinnamyl beta-D-glucopyranoside structure
19764-36-4 structure
Product Name:4-methoxycinnamyl beta-D-glucopyranoside
CAS No:19764-36-4
MF:C16H22O7
MW:326.341685771942
CID:2032710
PubChem ID:14048616
Update Time:2025-04-21

4-methoxycinnamyl beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • 4-methoxycinnamyl beta-D-glucopyranoside
    • Vimalin
    • -beta-D-glucopyranosid
    • [3-(4-Methoxyphenyl)-prop-2-enyl]-beta-D-glucopyranosid
    • 3-(4-Methoxyphenyl)-2-propenyl β-D-glucopyranoside
    • N08S5L5SV5
    • 3-(4-Methoxyphenyl)-2-propenyl beta-D-glucopyranoside
    • UNII-N08S5L5SV5
    • Vimalin, (-)-
    • 19764-36-4
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((E)-3-(4-methoxyphenyl)prop-2-enoxy)oxane-3,4,5-triol
    • Glucopyranoside, p-methoxycinnamyl
    • beta-D-Glucopyranoside, (2E)-3-(4-methoxyphenyl)-2-propen-1-yl
    • .BETA.-D-GLUCOPYRANOSIDE, (2E)-3-(4-METHOXYPHENYL)-2-PROPEN-1-YL
    • .BETA.-D-GLUCOPYRANOSIDE, 3-(4-METHOXYPHENYL)-2-PROPEN-1-YL
    • Q27284335
    • 143729-77-5
    • beta-D-Glucopyranoside, 3-(4-methoxyphenyl)-2-propenyl
    • .beta.-D-Glucopyranoside, 3-(4-methoxyphenyl)-2-propenyl
    • beta-D-Glucopyranoside, 3-(4-methoxyphenyl)-2-propen-1-yl
    • (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]oxane-3,4,5-triol
    • Inchi: 1S/C16H22O7/c1-21-11-6-4-10(5-7-11)3-2-8-22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
    • InChI Key: XRQSXJGKRJVWSU-FAOXUISGSA-N
    • SMILES: [C@H]1([C@@H](O)[C@H](OC/C=C/C2C=CC(OC)=CC=2)O[C@H](CO)[C@H]1O)O

Computed Properties

  • Exact Mass: 326.13655304Da
  • Monoisotopic Mass: 326.13655304Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 367
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.132
  • Topological Polar Surface Area: 109?2
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