Molecule ID: 122164823

IUPAC Name: [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R)-2-hydroxy-3-pentoxypropoxy]oxan-4-yl] hydrogen sulfate

Description: The molecule is a galactoglycerolipid that consists of 3-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol in which the glycerol portion is alkylated at position 1 by a pentyl group.

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

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

InChI: InChI=1S/C14H28O11S/c1-2-3-4-5-22-7-9(16)8-23-14-12(18)13(25-26(19,20)21)11(17)10(6-15)24-14/h9-18H,2-8H2,1H3,(H,19,20,21)/t9-,10-,11+,12-,13+,14-/m1/s1

Molecular Properties:
- Polar Surface Area: 181.0 Ų
- LogP: -1.4