6-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid

HCID 59855422

Basic information

Standard SMILES
CC1=Nc2ccc(S(=O)(=O)O)cc2C1(C)CCCCCC(=O)O
InChIKey
GHCMZZOTVCLUBS-UHFFFAOYSA-N
Molecular formula
C16H21NO5S
Average molar mass
339.4 g/mol
Monoisotopic mass
339.11404394

Names & identifiers

Preferred name
6-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid
IUPAC
6-(2,3-dimethyl-5-sulfoindol-3-yl)hexanoic acid

Names & synonyms

407627-51-46-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoic acid2,3-dimethyl-5-sulfo-3H-Indole-3-hexanoic acid3H-Indole-3-hexanoic acid, 2,3-dimethyl-5-sulfo-3H-Indole-3-hexanoic acid, 2,3-dimethyl-5-sulfo-MFCD129233103-(5-carboxypentyl)-2,3-dimethyl-5-sulfoindolium inner saltSCHEMBL881201GHCMZZOTVCLUBS-UHFFFAOYSA-NHRA62751SY490091DB-014821
Show more names
F152526-(2,3-dimethyl-5-sulfo-indol-3-yl)hexanoic acid6-(2,3-dimethyl-5-sulfo-3H-indol-3-yl)hexanoicacid

Database identifiers

PubChem CID
59855422

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
23

Related reactions

7 records

Compound notes

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