Molecule ID: 5461025

IUPAC Name: (2R,3S,4R)-2,3,5-trihydroxy-4-methoxy-5-methylhexanal

Description: The molecule is a deoxyhexose derivative that is 5-methylhexanal which has been substituted at position 4 by a methoxy group and at positions 2, 3, and 5 by hydroxy groups (the 2R,3S,4R stereoisomer). It derives from an aldehydo-L-lyxose.

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

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

InChI: InChI=1S/C8H16O5/c1-8(2,12)7(13-3)6(11)5(10)4-9/h4-7,10-12H,1-3H3/t5-,6-,7+/m0/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: -1.7