D-Mannitol - UltraBio™, ≥99%(HPLC), sum of enantiomers , CAS No.69-65-8

CAS: 69-65-8 Cat. No.: D755651 Formula: C₆H₁₄O₆ Molecular Weight: 182.17 Beilstein Registry Number: 1721898 EC Number: 200-711-8

GRADE & PURITY UltraBio™, ≥99%(HPLC), sum of enantiomers

Storage

Room temperature

Shipped In

Normal

Overview

D-Mannitol is used as an osmolyte and transport facilitator in a variety of biological in vivo and in vitro applications, such as improvement of blood-brain barrier transport and hyperosmolar therapy. D-Mannitol is used as a substrate to identify, differentiate and characterized enzymes such as mannitol dehydrogenase(s). D-Mannitol is used in identify mannitol metabolizing bacteria.

Specifications

Specifications & Purity

UltraBio™, ≥99%(HPLC), sum of enantiomers

Biochemical and Physiological Mechanisms

A sugar alcohol sweet tastant. Used in sweetness inhibition studies.

Storage

Room temperature

Shipped In

Normal

Grade

UltraBio™

Purity

≥99%(HPLC)

Names and Identifiers

PH

5.0-6.5 (25 °C, 1 M in H 2 O)

Canonical Smiles

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

IUPAC Name

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

InChIKey

FBPFZTCFMRRESA-KVTDHHQDSA-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

WGK Germany

2

RTECS

OP2060000

Molecular Weight

182.17

Beilstein

1721898

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: mannitol

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: H 2 O: 1 M at 20 °C, clear, colorless
• Specific Rotation[α]: 23° (C=10,Sodium tetraborate solution)
• Melt Point(°C): 167-170°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