Ononitol

Base Information

• Chemical Name: Ononitol
• CAS No.: 3559-00-0
• Molecular Formula: C7H14 O6
• Molecular Weight: 194.18246
• DSSTox Substance ID: DTXSID701318150
• Nikkaji Number: J14.551C,J656.093H,J3.245.632D
• Wikipedia: Ononitol
• Wikidata: Q104253371,Q27103880,Q27117073
• Metabolomics Workbench ID: 51837
• Mol file: 3559-00-0.mol

Synonyms:D-ononitol;ononitol;ononitol monohydrate

Chemical Property of Ononitol

Chemical Property:

• PSA: 110.38000
• LogP: -3.18050
• XLogP3: -3.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 194.07903816
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

L-PINITOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1C(C(C(C(C1O)O)O)O)O
• Isomeric SMILES: COC1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O

Technology Process of Ononitol

There total 65 articles about Ononitol 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: 100.0%

4/6-O-methyl-myo-inositol 1,3,5-monoorthoformate → 4-O-methyl-myo-inositol (484-68-4,484-69-5,484-71-9,523-92-2,642-38-6,3559-00-0,3564-07-6,6090-97-7,7586-49-4,7600-53-5,10284-63-6,17405-65-1,22350-68-1,23887-12-9,32934-27-3,35688-46-1,56782-15-1,58769-21-4,60537-25-9,64314-40-5,74560-60-4,103773-59-7,111059-09-7,115888-70-5,144902-49-8)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 5h;

DOI:10.1039/b417757f

Reference yield: 100.0%

DL-1,3-di-O-benzoyl-4-O-methyl-chiro-inositol (111015-74-8,138258-56-7) → 4-O-methyl-myo-inositol (484-68-4,484-69-5,484-71-9,523-92-2,642-38-6,3559-00-0,3564-07-6,6090-97-7,7586-49-4,7600-53-5,10284-63-6,17405-65-1,22350-68-1,23887-12-9,32934-27-3,35688-46-1,56782-15-1,58769-21-4,60537-25-9,64314-40-5,74560-60-4,103773-59-7,111059-09-7,115888-70-5,144902-49-8)

Guidance literature:

With water; triethylamine; In methanol; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81025-5

Reference yield: 100.0%

DL-1,2-di-O-methyl-chiro-inositol (111015-73-7) → 4-O-methyl-myo-inositol (484-68-4,484-69-5,484-71-9,523-92-2,642-38-6,3559-00-0,3564-07-6,6090-97-7,7586-49-4,7600-53-5,10284-63-6,17405-65-1,22350-68-1,23887-12-9,32934-27-3,35688-46-1,56782-15-1,58769-21-4,60537-25-9,64314-40-5,74560-60-4,103773-59-7,111059-09-7,115888-70-5,144902-49-8)

Guidance literature:

With water; triethylamine; In methanol; for 3h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81025-5

upstream raw materials:

quebrachitol

methyl 2,3,4-tri-O-benzyl-D-glucopyranoside

(4S,5R,6S)-4,5,6-tris-benzyloxycyclohex-2-en-1-one

1-O-Allyl-2,3,4-tri-O-benzyl-D-chiro-inositol

Downstream raw materials:

2,3,4,5,6-Penta-O-acetyl-1-O-methyl-myo-inositol

(1R,2S,3R,4R,5S,6S)-1-Methoxy-2,3,4,5,6-pentakis-trimethylsilanyloxy-cyclohexane

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