DTXSID80861237

2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid

CAS: 1217458-62-2

Molecular Formula	`C34H59NO15`
Molecular Weight	721.8 g/mol
LogP	-0.5
Topological Polar Surface Area	289.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	16
Rotatable Bonds	31
Exact Mass	721.3885
Heavy Atoms	50
Complexity	1070.0

Chemical Identifiers

CAS Number	1217458-62-2
SMILES	`CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O`
InChIKey	`UVBUBMSSQKOIBE-UHFFFAOYSA-N`

📖 Product Overview

DTXSID80861237 (CAS: 1217458-62-2) is a chemical compound with molecular formula C34H59NO15 and molecular weight 721.8 g/mol. Its IUPAC systematic name is 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid. LogP -0.5 Topological Polar Surface Area 289.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 16 Rotatable Bonds 31 Exact Mass 721.3885 Heavy Atoms 50 Complexity 1070.0 InChI Key: UVBUBMSSQKOIBE-UHFFFAOYSA-N. SMILES: CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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