RefChem:239098

bis(3-carboxy-3,5-dihydroxy-5-oxopentanoate);2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium

Also Known As: RefChem:239098|AC1L18JH|C25H39N3O5.2C6H8O7.1/2H2O|1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-1,2-dimethyl-, 2-(diethylamino)ethyl ester, dicitrate, hemihydrate|1,2-Dimethyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate|C25-H39-N3-O5.2C6-H8-O7.1/2H2-O|3-Carboxy-3,5-dihydroxy-5-oxopentanoate;2-[5-[2-[2-(diethylazaniumyl)ethoxy]-2-oxoethoxy]-1,2-dimethylindole-3-carbonyl]oxyethyl-diethylazanium|1H-INDOLE-3-CARBOXYLIC ACID, 5-(2-(2-(DIETHYLAMINO)ETHOXY)-2-OXOETHOXY)-1,2-DIME|2-({[(3-{[2-(Diethylazaniumyl)ethoxy]carbonyl}-1,2-dimethyl-1H-indol-5-yl)oxy]acetyl}oxy)-N,N-diethylethan-1-aminium bis(3,4-dicarboxy-3-hydroxybutanoate)|3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium

Molecular Formula	C37H55N3O19
Molecular Weight	845.34296 g/mol
LogP	-4.75
Topological Polar Surface Area	345.56 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	16
Rotatable Bonds	24
Exact Mass	845.34296
Heavy Atoms	59
Complexity	1680.1

Chemical Identifiers

CAS Number	68360-93-0
SMILES	CC[NH+](CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC[NH+](CC)CC)C)C.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O