Compound C27H31ClN2O11

[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-[[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium chloride

CAS: 59866-16-9

Molecular Formula	`C27H31ClN2O11`
Molecular Weight	595.0 g/mol
Topological Polar Surface Area	232.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	16
Exact Mass	594.1616
Heavy Atoms	41
Complexity	939.0

Chemical Identifiers

CAS Number	59866-16-9
SMILES	`COC(=O)C(CC1=CC(=C(C=C1)CC(=O)O)CC(=O)O)NC(=O)C(CC2=CC(=C(C=C2)CC(=O)O)CC(=O)O)[NH3+].[Cl-]`
InChIKey	`OSWNXJXGUNGKKM-GUTACTQSSA-N`

📖 Product Overview

Compound C27H31ClN2O11 (CAS: 59866-16-9) is a chemical compound with molecular formula C27H31ClN2O11 and molecular weight 595.0 g/mol. Its IUPAC systematic name is [(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-[[(2S)-3-[3,4-bis(carboxymethyl)phenyl]-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]azanium chloride. Topological Polar Surface Area 232.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 12 Rotatable Bonds 16 Exact Mass 594.1616 Heavy Atoms 41 Complexity 939.0 InChI Key: OSWNXJXGUNGKKM-GUTACTQSSA-N. SMILES: COC(=O)C(CC1=CC(=C(C=C1)CC(=O)O)CC(=O)O)NC(=O)C(CC2=CC(=C(C=C2)CC(=O)O)CC(=O)O)[NH3+].[Cl-].

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