Summary

IMPPAT Phytochemical identifier: IMPHY013330

Phytochemical name: Methyl 4-O-acetyl-2,3-di-O-methyl-alpha-D-xylopyranoside

Synonymous chemical names:
methyl 4-o-acetyl-2,3-di-o-methyl-à-d-xylopyranoside

External chemical identifiers:
CID:22214449

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Chemical structure information

SMILES:
CO[C@H]1[C@@H](CO[C@@H]([C@@H]1OC)OC)OC(=O)C

InChI:
InChI=1S/C10H18O6/c1-6(11)16-7-5-15-10(14-4)9(13-3)8(7)12-2/h7-10H,5H2,1-4H3/t7-,8+,9-,10+/m1/s1

InChIKey:
OKSHEFLCAPNCDG-RGOKHQFPSA-N

DeepSMILES:
CO[C@H][C@@H]CO[C@@H][C@@H]6OC)))OC)))))OC=O)C

Functional groups:
CC(=O)OC, COC, CO[C@@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.88

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Chemical structure download