Molecule ID: 24796507

IUPAC Name: [(4R)-4,8-dimethylnonyl] sulfate

Description: The molecule is an organosulfate oxoanion that is the conjugate base of (4R)-4,8-dimethylnonyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii. It has a role as a Daphnia pulex metabolite and a kairomone. It is a conjugate base of a (4R)-4,8-dimethylnonyl hydrogen sulfate.

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

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

InChI: InChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/p-1/t11-/m1/s1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 3.5