Compound C27H33NO11

3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethyl]azanium

CAS: 80428-15-5

Molecular Formula	`C27H33NO11`
Molecular Weight	547.5 g/mol
Topological Polar Surface Area	184.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	547.2054
Heavy Atoms	39
Complexity	658.0

Chemical Identifiers

CAS Number	80428-15-5
SMILES	`CC[NH+](CC)CCOC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O`
InChIKey	`WKVNPSWPCGOITH-CMXBXVFLSA-N`

📖 Product Overview

Compound C27H33NO11 (CAS: 80428-15-5) is a chemical compound with molecular formula C27H33NO11 and molecular weight 547.5 g/mol. Its IUPAC systematic name is 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxyethyl]azanium. Topological Polar Surface Area 184.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 11 Rotatable Bonds 12 Exact Mass 547.2054 Heavy Atoms 39 Complexity 658.0 InChI Key: WKVNPSWPCGOITH-CMXBXVFLSA-N. SMILES: CC[NH+](CC)CCOC(=O)C1C(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O.

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