D-Talitol - ≥98% , CAS No.643-03-8

CAS: 643-03-8 Cat. No.: T121085 Formule: C₆H₁₄O₆ Poids moléculaire: 182.17

GRADE & PURITY ≥98%

Synonyms

NSC23010 | (2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol | UNII-9TD9L8S68N | FBPFZTCFMRRESA-KAZBKCHUSA-N | UNII-83BXR29EKJ | AS-64096 | C21524 | D-Talitol | 9TD9L8S68N | MFCD00008891 | (2R,3R,4S,5R)-Hexane-1,2,3,4,5,6-hexaol | SCHEMBL15040 | Talitol | AKOS027320

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

NSC23010 | (2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol | UNII-9TD9L8S68N | FBPFZTCFMRRESA-KAZBKCHUSA-N | UNII-83BXR29EKJ | AS-64096 | C21524 | D-Talitol | 9TD9L8S68N | MFCD00008891 | (2R,3R,4S,5R)-Hexane-1,2,3,4,5,6-hexaol | SCHEMBL15040 | Talitol | AKOS027320

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504757358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757358
• Sourires canoniques: C(C(C(C(C(CO)O)O)O)O)O
• IUPAC Name: (2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
• InChIKey: FBPFZTCFMRRESA-KAZBKCHUSA-N
• INCHI: 1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1
• Isomères SMILES: C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O
• WGK Allemagne: 3
• Poids moléculaire: 182.17
• Reaxy-Rn: 8496933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8496933&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Rotation spécifique [α]: 2.8°C
• Point de fusion (°C): 88°C
• Poids moléculaire: 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

Références

1. 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,      [PMID:] [10.1016/j.energy.2018.07.081]