(3aR,5R,6S,7S,7aR)-5-[(β-D-Glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one

CAS Registry Number®

396714-64-0

CAS Name

(3aR,5R,6S,7S,7aR)-5-[(β-D-Glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one

Molecular Formula

C19H25NO12

Molecular Mass

459.40

Cite this Page

(3aR,5R,6S,7S,7aR)-5-[(β-D-Glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=396714-64-0 (retrieved 2024-11-22) (CAS RN: 396714-64-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H25NO12/c21-5-9-11(23)13(25)15(27)18(31-9)29-6-10-12(24)14(26)16-17(30-10)20(19(28)32-16)7-3-1-2-4-8(7)22/h1-4,9-18,21-27H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1

InChIKey

InChIKey=UQUJYJFBLXCVJV-NNUBVHJDSA-N

SMILES

O=C1N([C@]2([C@](O1)([C@@H](O)[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)[H])[H])C4=C(O)C=CC=C4

Canonical SMILES

O=C1OC2C(O)C(O)C(OC2N1C=3C=CC=CC3O)COC4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 2H-Pyrano[2,3-d]oxazol-2-one, 5-[(β-D-glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-, (3aR,5R,6S,7S,7aR)-
  • (3aR,5R,6S,7S,7aR)-5-[(β-D-Glucopyranosyloxy)methyl]hexahydro-6,7-dihydroxy-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one

CAS INSIGHTSTM
Targeted protein degrader structure, illustration