2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl]oxy]-4-methyl-, monopotassium salt

CAS Registry Number®

210357-38-3

CAS Name

2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl]oxy]-4-methyl-, monopotassium salt

Molecular Formula

C18H21NO11S.K

Cite this Page

2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl]oxy]-4-methyl-, monopotassium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=210357-38-3 (retrieved 2024-11-23) (CAS RN: 210357-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H21NO11S.K/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26;/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26);/t13-,15-,16-,17-,18-;/m1./s1

InChIKey

InChIKey=XYARVLIQLAIXKI-SZSLDHOESA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)O)O1)C=2C=C3C(=CC2)C(C)=CC(=O)O3.[K]

Canonical SMILES

[K].O=C1OC=2C=C(OC3OC(COS(=O)(=O)O)C(O)C(O)C3NC(=O)C)C=CC2C(=C1)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-6-O-sulfo-β-D-glucopyranosyl]oxy]-4-methyl-, monopotassium salt

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