(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

Base Information

Chemical Name:(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid
CAS No.:176487-06-2
Molecular Formula:C7H8 O4
Molecular Weight:156.138
Hs Code.:
DSSTox Substance ID:DTXSID30433367
Nikkaji Number:J727.021F
Wikidata:Q27121410
Metabolomics Workbench ID:57141
Mol file:176487-06-2.mol

Synonyms:176487-06-2;(5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid;(2S,3S)-2,3-Dihydroxy-2,3-dihydroxybenzoate;(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid;(2S,3S)-2,3-Dihydro-2,3-dihydroxybenzoate;C04171;SCHEMBL1970857;CHEBI:48968;DTXSID30433367;(s,s)-2,3-dihydroxy-2,3-dihydrobenzoic acid;Q27121410;1,3-Cyclohexadiene-1-carboxylicacid,5,6-dihydroxy-,(5S,6S)-(9CI)

Suppliers and Price of (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

Chemical Property:

PSA：77.76000
LogP:-0.71100
XLogP3:-0.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:156.04225873
Heavy Atom Count:11
Complexity:229

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(C(C(=C1)C(=O)O)O)O
Isomeric SMILES:C1=C[C@@H]([C@H](C(=C1)C(=O)O)O)O

Technology Process of (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid

There total 7 articles about (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 73.0%

: 50-99-7
D-glucose

: 176487-06-2
(2S,3S)-(+)-trans-2,3-dihydroxy-2,3-dihydrobenzoic acid

Guidance literature:: With air; Escherichia coli AN₁₉₃ H₁₈₈₂ containing genes entB; In various solvent(s); at 37 ℃; pH=6.8;
DOI:10.1002/1521-3773(20010202)40:3<555::AID-ANIE555>3.0.CO;2-0

Reference yield:

: 849585-22-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6
LACTIC ACID

: 176487-06-2
(2S,3S)-(+)-trans-2,3-dihydroxy-2,3-dihydrobenzoic acid

Guidance literature:: With air; Escherichia coli AN₁₉₃ H₁₈₈₂ containing genes entB; In various solvent(s); at 37 ℃; pH=6.8;
DOI:10.1002/1521-3773(20010202)40:3<555::AID-ANIE555>3.0.CO;2-0

Reference yield:

: 57-48-7,18875-34-8
D-Fructose

: 176487-06-2
(2S,3S)-(+)-trans-2,3-dihydroxy-2,3-dihydrobenzoic acid

Guidance literature:: With air; Escherichia coli AN₁₉₃ H₁₈₈₂ containing genes entB; In various solvent(s); at 37 ℃; pH=6.8;
DOI:10.1002/1521-3773(20010202)40:3<555::AID-ANIE555>3.0.CO;2-0