2-Amino-3,5-dihydroxy-15-methyl-1-hexadecanesulfonic acid; (2R,3R,5R)-form, N-(2R-Hydroxy-13-methyltetradecanoyl) 

AlkaPlorer ID: AK285113

Synonym: RIF 1

IUPAC Name: 3,5-dihydroxy-2-[(2-hydroxy-13-methyltetradecanoyl)amino]-15-methylhexadecane-1-sulfonic acid

Structure

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

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InChI: InChI=1S/C32H65NO7S/c1-26(2)20-16-12-8-5-6-11-15-19-23-30(35)32(37)33-29(25-41(38,39)40)31(36)24-28(34)22-18-14-10-7-9-13-17-21-27(3)4/h26-31,34-36H,5-25H2,1-4H3,(H,33,37)(H,38,39,40)

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InChIKey: HUKGASICJQZLFQ-UHFFFAOYSA-N

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Reference

PubChem CID: 156963643

COCONUT: CNP0448763.1

Source

Properties Information

Molecule Weight: 607.9390000000001

TPSA: 144.16

MolLogP: 6.555700000000005

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information