Cas no 109361-66-2 (4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside)

4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside structure
109361-66-2 structure
Product Name:4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside
CAS No:109361-66-2
MF:C16H22O8
MW:342.341085910797
CID:2039921
PubChem ID:91895380
Update Time:2025-04-21

4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside Chemical and Physical Properties

Names and Identifiers

    • 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside
    • abietin
    • coniferin
    • coniferoside
    • (Z)-3-[3-Methoxy-4-(β-D-glucopyranosyloxy)phenyl]-2-propen-1-ol
    • (Z)-Coniferin
    • 4-[(Z)-3-Hydroxy-1-propenyl]-2-methoxyphenyl β-D-glucopyranoside
    • AC-34721
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(Z)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
    • 109361-66-2
    • Inchi: 1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2-
    • InChI Key: SFLMUHDGSQZDOW-IHWYPQMZSA-N
    • SMILES: COC1C(OC2C(O)C(O)C(O)C(CO)O2)=CC=C(/C=C\CO)C=1

Computed Properties

  • Exact Mass: 342.13146766Da
  • Monoisotopic Mass: 342.13146766Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 404
  • 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: -1.3
  • Topological Polar Surface Area: 129?2
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