(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Base Information

• Chemical Name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
• CAS No.: 58367-01-4
• Deprecated CAS: 162222-91-5,165659-51-8,50933-92-1,8012-24-6,80206-31-1,8030-23-7,111688-73-4,111688-73-4,165659-51-8,2280-44-6,8012-24-6,80206-31-1,8030-23-7
• Molecular Formula: C6H12O6
• Molecular Weight: 180.16
• UNII: 5SL0G7R0OK
• DSSTox Substance ID: DTXSID7022910,DTXSID4048729
• Nikkaji Number: J4.109B
• Wikidata: Q21036645
• Metabolomics Workbench ID: 52322
• ChEMBL ID: CHEMBL448805
• Mol file: 58367-01-4.mol

Synonyms:Anhydrous Dextrose;D Glucose;D-Glucose;Dextrose;Dextrose, Anhydrous;Glucose;Glucose Monohydrate;Glucose, (alpha-D)-Isomer;Glucose, (beta-D)-Isomer;Glucose, (DL)-Isomer;Glucose, (L)-Isomer;L Glucose;L-Glucose;Monohydrate, Glucose

Chemical Property of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Chemical Property:

• Boiling Point: 527.1±50.0 °C(Predicted)
• PKA: 12.45±0.20(Predicted)
• PSA: 118.22000
• Density: 1.581±0.06 g/cm3(Predicted)
• LogP: -3.37880
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 180.06338810
• Heavy Atom Count: 12
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C=O)O)O)O)O)O
• Isomeric SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
• Recent EU Clinical Trials: Acute gastroenteritis in paediatrics :

Technology Process of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

There total 100 articles about (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 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:

D-galactitol (608-66-2) + water (7732-18-5) → lyxo-2-hexulose (57-48-7,87-79-6,87-81-0,551-68-8,3615-39-2,3615-56-3,6035-50-3,7776-48-9,16354-64-6,17598-81-1,17598-82-2,23140-52-5,30237-26-4,65732-90-3,73952-10-0,73952-11-1,139686-85-4,18875-34-8) + galactose (50-99-7,59-23-4,921-60-8,1949-88-8,1990-29-0,2152-76-3,2595-97-3,2595-98-4,3458-28-4,4205-23-6,5934-56-5,5978-95-0,5987-68-8,6027-89-0,6038-51-3,7635-11-2,10030-80-5,15572-79-9,19163-87-2,23567-25-1,26566-61-0,30077-17-9,31103-86-3,39665-52-6,40866-07-7,58367-01-4,58407-05-9,58407-06-0,83198-69-0,83198-70-3,83198-71-4,93780-23-5,145920-48-5) + galactonic acid (133-42-6,488-33-5,526-95-4,526-97-6,576-36-3,642-99-9,1114-17-6,3956-93-2,6906-37-2,7760-07-8,13382-27-9,20246-33-7,20246-35-9,20246-52-0,20246-53-1,21675-42-3,22430-69-9,24871-35-0,28223-42-9,28278-17-3,51547-37-6)

Guidance literature:

at 80 ℃; weitere Produkte:2-Keto-DL-galaktonsaeure; DL-Galakturonsaeure;Schleimsaeure;

DOI:10.1021/ja01276a001

Reference yield:

galactonic acid (133-42-6,488-33-5,526-95-4,526-97-6,576-36-3,642-99-9,1114-17-6,3956-93-2,6906-37-2,7760-07-8,13382-27-9,20246-33-7,20246-35-9,20246-52-0,20246-53-1,21675-42-3,22430-69-9,24871-35-0,28223-42-9,28278-17-3,51547-37-6) → galactose (50-99-7,59-23-4,921-60-8,1949-88-8,1990-29-0,2152-76-3,2595-97-3,2595-98-4,3458-28-4,4205-23-6,5934-56-5,5978-95-0,5987-68-8,6027-89-0,6038-51-3,7635-11-2,10030-80-5,15572-79-9,19163-87-2,23567-25-1,26566-61-0,30077-17-9,31103-86-3,39665-52-6,40866-07-7,58367-01-4,58407-05-9,58407-06-0,83198-69-0,83198-70-3,83198-71-4,93780-23-5,145920-48-5)

Guidance literature:

das Lacton regiert;

Reference yield:

gluconic acid (133-42-6,488-33-5,526-95-4,526-97-6,576-36-3,642-99-9,1114-17-6,3956-93-2,6906-37-2,7760-07-8,13382-27-9,20246-33-7,20246-35-9,20246-52-0,20246-53-1,21675-42-3,22430-69-9,24871-35-0,28223-42-9,28278-17-3,51547-37-6) → glucose (50-99-7,59-23-4,921-60-8,1949-88-8,1990-29-0,2152-76-3,2595-97-3,2595-98-4,3458-28-4,4205-23-6,5934-56-5,5978-95-0,5987-68-8,6027-89-0,6038-51-3,7635-11-2,10030-80-5,15572-79-9,19163-87-2,23567-25-1,26566-61-0,30077-17-9,31103-86-3,39665-52-6,40866-07-7,58367-01-4,58407-05-9,58407-06-0,83198-69-0,83198-70-3,83198-71-4,93780-23-5,145920-48-5)

Guidance literature:

das Lacton reagiert;

upstream raw materials:

D-sorbitol

L-Tartaric acid

formaldehyd

Glyceraldehyde

Downstream raw materials:

o-nitrothiophenol

D-glucoheptonic acid

D-glycero-D-ido-heptonic acid

succinic acid

Refernces

• 1、 Qin, Ze,Zhang, Jin,Chen, Liang,Liu, Shu-Xiang,Zhao, Hai-Feng,Mao, Hui-Min,Zhang, Hong-Yang,Li, De-Fang. "Anti-inflammatory active components of the roots of Datura metel". . p. 392 - 398. Retrieved 2020/03/30.
• 2、 Stovbun,Skoblin,Zanin,Tverdislov,Taran,Parmon. "Formation of Chiral Structures in Photoinitiated Formose Reaction". . p. 108 - 116. Retrieved 2018/04/05.