D-Iditol - ≥98%(HPLC) , CAS No.25878-23-3

CAS: 25878-23-3 Cat. No.: S161069 Formula: C₆H₁₄O₆ Molecular Weight: 182.17 Beilstein Registry Number: 1544

GRADE & PURITY ≥98%(HPLC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

D-Iditol is a polyol. It inhibits glucosidase I, but not glucosidase II, when used at a concentration of ~1 mM.

Specifications

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

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

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

508810451

Canonical Smiles

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

IUPAC Name

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

InChIKey

FBPFZTCFMRRESA-ZXXMMSQZSA-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

Isomeric SMILES

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

Molecular Weight

182.17

Beilstein

1544

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: iditol

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

Chemical and Physical Properties

• Solubility: Soluble in water；DMF: 1 mg/ml,DMSO: 2 mg/ml,Ethanol: insol,PBS (pH 7.2): 5 mg/ml
• Sensitivity: Hygroscopic
• Specific Rotation[α]: 3° (C=1,H2O)
• Boil Point(°C): 230°C(lit.)
• Melt Point(°C): 76 °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