Molecule ID: 443630

IUPAC Name: (2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-5-(hydroxymethyl)cyclohexan-1-one

Description: The molecule is a cyclitol that is cyclohexanone which is substituted by hydroxy groups at positions 2, 3, 4, and 5, and by a hydroxymethyl group at position 5 (the 2R,3S,4S,5S stereoisomer). It is a cyclitol, an alicyclic ketone and a tertiary alcohol.

SMILES: O=C1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O

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

InChI: InChI=1S/C7H12O6/c8-2-7(13)1-3(9)4(10)5(11)6(7)12/h4-6,8,10-13H,1-2H2/t4-,5+,6-,7-/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: -3.0