Summary

IMPPAT Phytochemical identifier: IMPHY005439

Phytochemical name: (4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one

Synonymous chemical names:
2-deoxy-d-lyxono-1,4-lactone, 2-deoxy-d-ribono-1,4-lactone

External chemical identifiers:
CID:161815, ChEMBL:CHEMBL98888, ChEBI:17281, ZINC:ZINC000004095906, SureChEMBL:SCHEMBL3394583, MolPort-028-959-565

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Chemical structure information

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

InChI:
InChI=1S/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2/t3-,4+/m0/s1

InChIKey:
YIXDEYPPAGPYDP-IUYQGCFVSA-N

DeepSMILES:
OC[C@H]OC=O)C[C@@H]5O

Functional groups:
CC(=O)OC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP-Likeness score: 2.765

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Chemical structure download