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Allitol - 98%, high purity , CAS No.488-44-8
Basic Description
Synonyms
B3F996O6JU | s9347 | ALLIT | (2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol;Dulcitol | CCG-266440 | L-Allitol | Allodulcit | X9X | DTXSID60197607 | Allitol, >=98% | Allodulcitol | WURCS=2.0/1,1,0/[h2222h]/1/ | Allitol | A832929 | CHEBI:181263 | UNII-B3F996O6JU |
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Allitol, a water retentive rare sugar alcohol, may be used as a monosaccharide laxative. Allitol may be used as a reference compound during separation and analysis of hexitols such as galactitol, iditol, altritols, sorbitol and mannitol.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Sugar alcohols
Alternative Parents
Monosaccharides Secondary alcohols Polyols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Sugar alcohol - Monosaccharide - Secondary alcohol - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
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
Pubchem Sid
504756837
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504756837
IUPAC Name
(2R,3R,4S,5S)-hexane-1,2,3,4,5,6-hexol
INCHI
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+
InChIKey
FBPFZTCFMRRESA-FBXFSONDSA-N
Smiles
C(C(C(C(C(CO)O)O)O)O)O
Isomeric SMILES
C([C@H]([C@H]([C@H]([C@H](CO)O)O)O)O)O
WGK Germany
3
RTECS
BA1840000
Molecular Weight
182.17
Beilstein
1(4)2839
Reaxy-Rn
8496933
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8496933&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: 50 mg/mL (274.47 mM)
Sensitivity
Light sensitive;Moisture sensitive
Melt Point(°C)
152 °C
Molecular Weight
182.170 g/mol
XLogP3
-3.100
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
5
Exact Mass
182.079 Da
Monoisotopic Mass
182.079 Da
Topological Polar Surface Area
121.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
105.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
4
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Lei Wang, Kecai Chen, Peng Zheng, Xiang Huo, Fei Liao, Liping Zhu, Meirong Hu, Yong Tao.
(2023)
Enhanced production of D-psicose from D-fructose by a redox-driven multi-enzyme cascade system. ENZYME AND MICROBIAL TECHNOLOGY,
163
(110172).
2.
Xue-Feng Shao, Chao Wang, Yong-Jian Yang, Biao Feng, Zi-Qin Zhu, Wu-Jun Wang, Yi Zeng, Li-Wu Fan.
(2018)
Screening of sugar alcohols and their binary eutectic mixtures as phase change materials for low-to-medium temperature latent heat storage. (Ⅰ): Non-isothermal melting and crystallization behaviors. ENERGY,
160
(1078).
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2 Citations
J2424396