2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic acid; (2R,3R)-form 

AlkaPlorer ID: AK285880

Synonym: Capnine

IUPAC Name: 2-amino-3-hydroxy-15-methylhexadecane-1-sulfonic acid

Structure

SMILES: CC(C)CCCCCCCCCCCC(O)C(N)CS(=O)(=O)O

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InChI: InChI=1S/C17H37NO4S/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H,20,21,22)

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InChIKey: XMTQSVIYISYLNK-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 351.55300000000005

TPSA: 100.62

MolLogP: 3.509500000000001

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