Dulcitol - ≥98% , CAS No.608-66-2

CAS: 608-66-2 Cat. No.: D100091 Formule: C₆H₁₄O₆ Poids moléculaire: 182.17 Beilstein Registry Number: 1721903 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181449

Pubchem Sid Url

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

Sourires canoniques

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-

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
• 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: 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

Cibles associées (humaines)

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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NCI-H460 (60772 Activities)

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Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (30g/L at 14°C).
• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 275～280°C
• Point de fusion (°C): 188-189°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