Dulcitol - ≥98% , CAS No.608-66-2

CAS: 608-66-2 Cat. No.: D100091 Fórmula: C₆H₁₄O₆ Peso molecular: 182.17 Beilstein Registry Number: 1721903 Número CE: 210-165-2

GRADE & PURITY ≥98%

Synonyms

D-Dulcitol | DS-6321 | Dulcitol, puriss. | NSC-1944 | CAS-608-66-2 | DTXCID9026051 | meso-galactitol | Tox21_111644_1 | AC-34851 | G0005 | galactitol | NCGC00159410-03 | WURCS=2.0/1,1,0/[h2112h]/1/ | AI3-19423 | EINECS 210-165-2 | NCGC00159410-04 | NCGC00

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Dulcitol is a sugar alcohol and slightly sweet tastant for human taste cells.
Dulcitol (Galactitol), a sugar alcohol derived through reduction of galatose, is studied to determine its role and mechanisms in pathologies such as cataract formation, hepatosplenomegaly and mental retardation. Galactitol is used as a substrate to identify, differentiate and characterize galactitol dehydrogenase(s).

Specifications

Sinónimos

D-Dulcitol | DS-6321 | Dulcitol, puriss. | NSC-1944 | CAS-608-66-2 | DTXCID9026051 | meso-galactitol | Tox21_111644_1 | AC-34851 | G0005 | galactitol | NCGC00159410-03 | WURCS=2.0/1,1,0/[h2112h]/1/ | AI3-19423 | EINECS 210-165-2 | NCGC00159410-04 | NCGC00

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

A sugar alcohol and slightly sweet tastant for human taste cells.

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488181449

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181449

Sorrisos canónicos

C(C(C(C(C(CO)O)O)O)O)O

IUPAC Name

(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol

InChIKey

FBPFZTCFMRRESA-GUCUJZIJSA-N

INCHI

1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-

SMILES isoméricas

C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O

WGK Alemanha

3

Peso molecular

182.17

Beilstein

1721903

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
• Descrição: 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: hexitol

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

Alvos associados (humanos)

HT-29 (80576 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H460 (60772 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHO-K1 (1115 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water (30g/L at 14°C).
• Sensibilidade: Moisture sensitive
• Ponto de ebulição (°C): 275～280°C
• Ponto de fusão (°C): 188-189°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