Molecule ID: 86290022

IUPAC Name: [(2S)-2,6-dimethylheptyl] sulfate

Description: The molecule is the (S)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex. It is a conjugate base of a (2S)-2,6-dimethylheptyl hydrogen sulfate. It is an enantiomer of a (2R)-2,6-dimethylheptyl sulfate.

SMILES: CC(C)CCC[C@H](C)COS(=O)(=O)[O-]

SELFIES: [C][C][Branch1][C][C][C][C][C][C@H1][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C9H20O4S/c1-8(2)5-4-6-9(3)7-13-14(10,11)12/h8-9H,4-7H2,1-3H3,(H,10,11,12)/p-1/t9-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 2.6