D-threo-Isocitric acid

Base Information

• Chemical Name: D-threo-Isocitric acid
• CAS No.: 6061-97-8
• Molecular Formula: C6H8 O7
• Molecular Weight: 192.125
• DSSTox Substance ID: DTXSID10415742
• Nikkaji Number: J8.341K
• Wikidata: Q27105259
• Metabolomics Workbench ID: 37902
• ChEMBL ID: CHEMBL390356
• Mol file: 6061-97-8.mol

Synonyms:D-threo-Isocitric acid;6061-97-8;(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid;CHEBI:151;(+)-threo-isocitric acid;(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate;3-carboxy-2,3-dideoxy-L-threo-pentaric acid;ICT;rel-(1S,2R)-1-Hydroxypropane-1,2,3-tricarboxylic acid;18979-21-0;Threo-isocitrate;d-isocitric acid;1grp;DS-threo-isocitrate;(+)-threo-isocitrate;(2R,3S)-Isocitrate;DS-threo-isocitric acid;Threo-DS(+)-isocitrate;Threo-d-(+)-isocitrate;bmse000025;Threo-DS(+)-isocitric acid;Threo-d-(+)-isocitric acid;CHEMBL390356;SCHEMBL2794437;DTXSID10415742;BDBM50510132;C00451;(1r,2s)-1-hydroxy-1,2,3-propanetricarboxylic acid;D-(+)-threo-isocitric acid(2R,3S)-Isocitric acid;Q27105259;376BEC0B-A22C-42CD-9484-D85F16448FC4

Chemical Property of D-threo-Isocitric acid

Chemical Property:

• Vapor Pressure: 1.3E-05mmHg at 25°C
• Boiling Point: 329.6°C at 760 mmHg
• PKA: 3.40±0.34(Predicted)
• Flash Point: 167.4°C
• PSA: 132.13000
• Density: 1.751g/cm³
• LogP: -1.39260
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 192.02700259
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of D-threo-Isocitric acid

There total 3 articles about D-threo-Isocitric 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:

1-aminopropane-1,2,3-tricarboxylic acid (2393-15-9) → (+/-)-alloisocitric acid (320-77-4,344-79-6,1187-17-3,6061-97-8,18979-21-0,30810-51-6,55582-48-4,80081-19-2,80081-20-5)

Guidance literature:

With hydrogenchloride; silver(I) nitrite; Stereoisomeren-Gemische entstehen;

Reference yield:

→ (+/-)-alloisocitric acid (320-77-4,344-79-6,1187-17-3,6061-97-8,18979-21-0,30810-51-6,55582-48-4,80081-19-2,80081-20-5)

Guidance literature:

Isolierung aus dem Stereoisomeren-Gemisch;

Reference yield:

1-aminopropane-1,2,3-tricarboxylic acid (2393-15-9) → (+/-)-isocitric acid (320-77-4,344-79-6,1187-17-3,6061-97-8,18979-21-0,30810-51-6,55582-48-4,80081-19-2,80081-20-5)

Guidance literature:

With hydrogenchloride; silver(I) nitrite; Stereoisomeren-Gemische entstehen;

upstream raw materials:

1-aminopropane-1,2,3-tricarboxylic acid

Downstream raw materials:

α-ketoglutaric acid

1 propene 1,2,3 tricarboxylic acid

carbon dioxide

oxalic acid

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