D-Gluco-2-heptulose

Base Information

• Chemical Name: D-Gluco-2-heptulose
• CAS No.: 5349-37-1
• Molecular Formula: C7H14 O7
• Molecular Weight: 210.184
• Hs Code.: 2914400090
• European Community (EC) Number: 226-310-8
• DSSTox Substance ID: DTXSID501315548
• Nikkaji Number: J217.913J
• Mol file: 5349-37-1.mol

Synonyms:D-Gluco-2-heptulose;5349-37-1;(3R,4S,5R,6R)-1,3,4,5,6,7-hexahydroxyheptan-2-one;SCHEMBL82133;DTXSID501315548;EINECS 226-310-8

Chemical Property of D-Gluco-2-heptulose

Chemical Property:

• Vapor Pressure: 7E-11mmHg at 25°C
• Melting Point: 144 °C
• Boiling Point: 628°Cat760mmHg
• PKA: 11.86±0.20(Predicted)
• Flash Point: 347.6°C
• PSA: 130.61000
• Density: 1.645g/cm³
• LogP: -3.85890
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 210.07395278
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

98%Min ^*data from raw suppliers

D-GLUCOHEPTULOSE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of D-Gluco-2-heptulose

There total 20 articles about D-Gluco-2-heptulose 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:

2-nitro-1-ethanol (625-48-9) + D-Arabinose (10323-20-3) → D-mannoheptulose (3615-44-9) + (3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one (5349-37-1)

Guidance literature:

With methanol; sodium methylate; und Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure;

DOI:10.1021/ja01543a043

Reference yield:

2-nitro-1-ethanol (625-48-9) + D-Arabinose (10323-20-3) + sodium methylate (124-41-4) → D-mannoheptulose (3615-44-9) + (3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one (5349-37-1)

Guidance literature:

Behandeln des Reaktionsprodukts mit wss.Schwefelsaeure;

DOI:10.1021/ja01543a043

Reference yield:

D-glycero-D-gulo-heptose (3146-50-7) → (3R,4S,5R,6R)-1,3,4,5,6,7-Hexahydroxy-heptan-2-one (5349-37-1)

Guidance literature:

With calcium hydroxide; water;

DOI:10.1021/ja01129a018 DOI:10.1021/ja01368a061

upstream raw materials:

meso-glycero-allo-heptitol

D-glycero-D-allo-heptose

D-glycero-D-allo-heptonic acid-4-lactone

2-nitro-1-ethanol

Downstream raw materials:

DL-gluco-1,3,4,5,6,7-Hexahydroxy-heptan-2-on

2,7-Anhydro-β-D-allo-heptulopyranose

D-glycero-D-gulo-heptose

formaldehyd