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CS-W001157 4
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(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-isopropyl-5-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol

  • CAS No. 20772-23-0

  • Cat. No. CS-0468365
  • Molecule weight312.36
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-isopropyl-5-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol|CS-0468365

Structure of 20772-23-0

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General Information

  • CAS No. 20772-23-0
  • Cat. No. CS-0468365
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₄O₆
  • Molecular Weight 312.36
  • Synonym(s) THYMOL-B-D-GLUCOPYRANOSIDE
  • SMILES CC1=CC(O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)=C(C(C)C)C=C1

Synthesis

  • Route1
    • null|null
      117887-62-4
    • ~%
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-isopropyl-5-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol|CS-0468365
      20772-23-0

    References

    • Mastelic, Josip; Jerkovic, Igor; Vinkovic, Marijana; Dzolic, Zoran; Vikic-Topic, Drazen Croatica Chemica Acta, 2004 , vol. 77, # 3 p. 491 - 500
  • Route2

    References

    • Kariyone et al. Yakugaku Zasshi, 1952 , vol. 72, p. 13 Chem.Abstr., 1952 , p. 11114
  • Route3

    References

    • Ackermann, Irmtraud E.; Banthorpe, Derek V.; Fordham, William D.; Kinder, John P.; Poots, Ian Liebigs Annalen der Chemie, 1989 , p. 79 - 82

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   99.38
  • LogP   0.29712
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   4

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