Molecule ID: 9920413

IUPAC Name: (2S)-5-hydroxy-2-(hydroxymethyl)-2,3-dihydropyran-4-one

Description: The molecule is a 4-pyranone with a 2,3-double bond carrying a hydroxy group at position 3 and a hydroxymethyl group at position 6. It is a deoxyketohexose and an anhydrohexose. It is a conjugate acid of an ascopyrone P(1-).

SMILES: O=C1C[C@@H](CO)OC=C1O

SELFIES: [O][=C][C][C@@H1][Branch1][Ring1][C][O][O][C][=C][Ring1][Branch2][O]

InChI: InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h3-4,7,9H,1-2H2/t4-/m0/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: -0.8