CAS
80424-18-6 Purity
96%
80424-18-6 Purity
96%
![Diethyl-[2-[[(2S,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methylazaniumyl]ethyl]azanium dichloride](https://resource.alfa-chemistry.com/structure/80428-17-7.gif)
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3-Carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[(2R,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxine-2-carbonyl]oxyethyl]azanium
CAS
80428-15-5
Catalog Number
ACM80428155
Category
Other Products
Molecular Weight
547.551 g/mol
Molecular Formula
C27H33NO11
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Specification
Synonyms
80428-15-5, N,N-diethyl-2-({[(2R,3S)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]carbonyl}oxy)ethanaminium 3,3-dicarboxy-4-hydroxybutanoate
IUPAC Name
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-(2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)oxyethyl]azanium
Canonical 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
InChI Key
WKVNPSWPCGOITH-UHFFFAOYSA-N
Boiling Point
475.9ºC at 760 mmHg
Flash Point
241.6ºC
Exact Mass
547.20500
H-Bond Acceptor
11
H-Bond Donor
4
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