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Bis(2,6-hydroxymethyl)dioxane(Mixture of Diastereomers) , CAS No.54120-69-3
a chemical used in the preparation of antidiabetic agents
Basic Description
Synonyms
[6-(hydroxymethyl)-1,4-dioxan-2-yl]methanol | 1,4-Dioxane-2,6-dimethanol | DXBFGULPNNFLAV-UHFFFAOYSA-N | (1,4-Dioxane-2,6-diyl)dimethanol | p-Dioxane-2,6-dimethanol | 2,6-bis(hydroxymethyl) dioxane | FT-0663297 | DTXSID20337860 | AKOS022504676 | Bis(2,6-h
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Bis(2,6-hydroxymethyl)dioxane is used in the preparation of antidiabetic agents comprising analgesic or anti-inflammatory drugs.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxanes
Subclass
1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxanes
Alternative Parents
Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Para-dioxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
[6-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
INCHI
InChI=1S/C6H12O4/c7-1-5-3-9-4-6(2-8)10-5/h5-8H,1-4H2
InChIKey
DXBFGULPNNFLAV-UHFFFAOYSA-N
Smiles
C1C(OC(CO1)CO)CO
Isomeric SMILES
C1C(OC(CO1)CO)CO
Molecular Weight
148.16
Reaxy-Rn
105956
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105956&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
148.160 g/mol
XLogP3
-1.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
148.074 Da
Monoisotopic Mass
148.074 Da
Topological Polar Surface Area
58.900 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
85.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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