2-Amino-3-hydroxy-14-methyl-1-pentadecanesulfonic acid; (2R,3R)-form, N-(13-Methyltetradecanoyl) 

AlkaPlorer ID: AK285904

Synonym: Sulfobacin C

IUPAC Name: None

Structure

SMILES: CC(C)CCCCCCCCCCCC(=O)NC(CS(=O)(=O)O)C(O)CCCCCCCCCCC(C)C

copy

InChI: InChI=1S/C31H63NO5S/c1-27(2)22-18-14-10-6-5-7-13-17-21-25-31(34)32-29(26-38(35,36)37)30(33)24-20-16-12-9-8-11-15-19-23-28(3)4/h27-30,33H,5-26H2,1-4H3,(H,32,34)(H,35,36,37)

copy

InChIKey: XJXVNHNNBNYTRY-UHFFFAOYSA-N

copy

Reference

Source

Properties Information

Molecule Weight: 561.9140000000003

TPSA: 103.7

MolLogP: 8.224000000000009

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information