β-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

CAS Registry Number®

51450-09-0
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CAS Name

β-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

Molecular Formula

C14H21NO8S

Molecular Mass

363.38

Cite this Page

β-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=51450-09-0 (retrieved 2024-04-29) (CAS RN: 51450-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-167 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H21NO8S/c1-6(16)15-11-13(22-9(4)19)12(21-8(3)18)10(23-14(11)24)5-20-7(2)17/h10-14,24H,5H2,1-4H3,(H,15,16)/t10-,11-,12-,13-,14+/m1/s1

InChIKey

InChIKey=NABDIVBRJQHAOY-KSTCHIGDSA-N

SMILES

O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](S)[C@@H]1NC(C)=O

Canonical SMILES

O=C(OCC1OC(S)C(NC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
  • D-Glucose, 2-acetamido-2-deoxy-1-thio-, 3,4,6-triacetate
  • 2-Acetamido-2-deoxy-3,4,6-tri-O-acetyl-1-thio-β-D-glucopyranose
  • (2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-mercaptotetrahydro-2H-pyran-3,4-diyl diacetate
  • 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-1-thio-β-D-glucopyranose

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Deleted or Replaced CAS Registry Numbers

84062-55-5, 1998120-21-0, 2228865-28-7

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