Compound C16H28N5O9-3

2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;hydrate

CAS: 138721-73-0

Molecular Formula	`C16H28N5O9-3`
Molecular Weight	434.42 g/mol
Topological Polar Surface Area	189.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	13
Exact Mass	434.1887
Heavy Atoms	30
Complexity	527.0

Chemical Identifiers

CAS Number	138721-73-0
SMILES	`CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O`
InChIKey	`XPTHPEXVBYEOPW-UHFFFAOYSA-K`

📖 Product Overview

Compound C16H28N5O9-3 (CAS: 138721-73-0) is a chemical compound with molecular formula C16H28N5O9-3 and molecular weight 434.42 g/mol. Its IUPAC systematic name is 2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;hydrate. Topological Polar Surface Area 189.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 12 Rotatable Bonds 13 Exact Mass 434.1887 Heavy Atoms 30 Complexity 527.0 InChI Key: XPTHPEXVBYEOPW-UHFFFAOYSA-K. SMILES: CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.

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