Dulcitol - 10mM in DMSO , CAS No.608-66-2

CAS: 608-66-2 Cat. No.: D425039 Formula: C₆H₁₄O₆ Molecular Weight: 182.17 Beilstein Registry Number: 1721903 EC Number: 210-165-2

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528770290

Canonical Smiles

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-

Isomeric SMILES

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

WGK Germany

3

Molecular Weight

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
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• 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: 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

Associated Targets(Human)

HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Boil Point(°C): 275～280°C
• Melt Point(°C): 188-189°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