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Cyclo-DOPA

Cyclo-DOPA structure

CAS No:
18766-67-1
Formula:
C9H9NO4
Chemical Name:
Cyclo-DOPA
Synonyms:
1H-Indole-2-carboxylic acid,2,3-dihydro-5,6-dihydroxy-,(2S)-;2-Indolinecarboxylic acid,5,6-dihydroxy-,(S)-(-)-;1H-Indole-2-carboxylic acid,2,3-dihydro-5,6-dihydroxy-,(S)-;(2S)-2,3-Dihydro-5,6-dihydroxy-1H-indole-2-carboxylic acid;L-Cyclodopa;Leukodopachrome;Leucodopachrome;Cyclo-DOPA;(2S)-5,6-Dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
Categories:
Chemical Reagents > Organic Reagents

Description

Solid

Leucodopachrome is indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2. It has a role as a metabolite. It is a member of indoles and a hydroxy monocarboxylic acid.

Cyclo-DOPA Basic Attributes

Molecular Weight：

195.17200

Exact Mass：

195.17

DSSTox ID：

DTXSID80172072

Characteristics

PSA：

89.79000

XLogP3：

0.65700

Density：

1.578g/cm3

Boiling Point：

534.2ºC

Flash Point：

276.9ºC

Refractive Index：

1.685

Vapor Pressure：

3.04E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

2,3-dihydro-5,6-dihydroxyindole-2-carboxylate

Computed Properties

Molecular Weight:195.17
XLogP3:0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:89.8
Heavy Atom Count:14
Complexity:245
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes