Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013369

Phytochemical name: 2-C-methyl-d-erythrono-1,4-lactone

Synonymous chemical names:
2-C-methyl-d-erythrono-1,4-lactone, 2-c-methyl-d-erythrono-1,4-lactone

External chemical identifiers:
CID:CID_11126294, FDASRS:UHG7K52SWD, Molport-023-279-008

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Chemical structure information

SMILES:
C[C@@]1(O)[C@H](O)COC1=O

InChI:
InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1

InChIKey:
OHTGZAWPVDWARE-NQXXGFSBSA-N

DeepSMILES:
C[C@@]O)[C@H]O)COC5=O

Functional groups:
CO, COC(=O)C

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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: 2.503

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Chemical structure download