D-Talitol - ≥98% , CAS No.643-03-8

CAS: 643-03-8 Cat. No.: T121085 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757358
• Sonrisas canónicas: 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
• Isómeros SMILES: C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Rotación específica [α]: 2.8°C
• Punto de fusión (°C): 88°C
• Peso molecular: 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

Referencias

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]