Molecule ID: 9855505

IUPAC Name: (2S)-4-hydroxy-2-(hydroxymethyl)-2H-pyran-5-one

Description: The molecule is a 3-pyranone with a 4,5-double bond carrying a hydroxy group at position 4 and a hydroxymethyl group at position 6. It is a deoxyketohexose, an anhydrohexose and a member of 3-pyrones. It is a conjugate acid of an ascopyrone M(1-).

SMILES: O=C1CO[C@H](CO)C=C1O

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

InChI: InChI=1S/C6H8O4/c7-2-4-1-5(8)6(9)3-10-4/h1,4,7-8H,2-3H2/t4-/m0/s1

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