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Home > Encyclopedia > (αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid

(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid

(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid structure

(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid 

structure
  • CAS No:

    25520-73-4

  • Formula:

    C9H9NO4

  • Chemical Name:

    (αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid

  • Synonyms:

    1,5-Cyclohexadiene-1-propanoic acid,α-amino-3,4-dioxo-,(αS)-;1,5-Cyclohexadiene-1-propionic acid,α-amino-3,4-dioxo-,L-;1,5-Cyclohexadiene-1-propanoic acid,α-amino-3,4-dioxo-,(S)-;(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid;Dopaquinone;L-DOPA semiquinone

Description

Solid


L-dopaquinone is an L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. It has a role as a human metabolite and a mouse metabolite. It is a L-phenylalanine derivative and a member of 1,2-benzoquinones. It is a tautomer of a L-dopaquinone zwitterion.

(αS)-α-Amino-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid Basic Attributes

195.17 g/mol

195.17

8F09Y50AX6

Characteristics

97.5 Ų

0.12310

Drug Information

4-(2-carboxy-2-aminoethyl)-1,2-benzoquinone

Computed Properties

Molecular Weight:195.17
XLogP3:-3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:97.5
Heavy Atom Count:14
Complexity:354
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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