Compound C22H32ClNO10

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium

CAS: 100310-86-9

Molecular Formula	`C22H32ClNO10`
Molecular Weight	505.9 g/mol
Topological Polar Surface Area	167.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	505.17148
Heavy Atoms	34
Complexity	538.0

Chemical Identifiers

CAS Number	100310-86-9
SMILES	`CC[NH+](CC)CCOCCC1(OC2=C(O1)C=C(C=C2)Cl)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O`
InChIKey	`PNGRVXGYHJHJBM-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H32ClNO10 (CAS: 100310-86-9) is a chemical compound with molecular formula C22H32ClNO10 and molecular weight 505.9 g/mol. Its IUPAC systematic name is 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium. Topological Polar Surface Area 167.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 10 Rotatable Bonds 12 Exact Mass 505.17148 Heavy Atoms 34 Complexity 538.0 InChI Key: PNGRVXGYHJHJBM-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCOCCC1(OC2=C(O1)C=C(C=C2)Cl)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.

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