Cannabis Compound Database: Showing Compound Card for Sorbitol (CDB006143)

Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Protein target Pathways Concentrations Links References Show 2 proteins XML

Record Information

Version

1.0

Created at

2020-03-18 23:21:35 UTC

Updated at

2020-12-07 19:06:55 UTC

CannabisDB ID

CDB006143

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Sorbitol

Description

Sorbitol, also known as D-glucitol or L-gulitol, belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of sugars in which the carbonyl group (aldehyde or ketone from the reducing sugar) has been reduced to a primary or secondary hydroxyl group. Sorbitol is a polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally in many plants and plant products and is also produced synthetically from glucose. As an industrial chemical, sorbitol is used in the manufacturing of sorbose, propylene glycol and ascorbic acid. It is also used as a plasticizer and stabilizer for vinyl resins, urethane resins and for other rigid foams. Sorbitol also has some pharmaceutical utility. It was formerly used as a diuretic and may still be used as a laxative and in irrigating solutions for some surgical procedures. Sorbitol is also used as a pharmaceutical or cosmetic aid. Sorbitol is used in solution form for moisture-conditioning of cosmetic creams and lotions, toothpaste, gelatins and liquid pharmaceuticals. As a food additive sorbitol functions as a sweetener, humectant, emulsifier, thickener and anticaking agent. Sorbitol is also used as a softener for candy as it acts as a sugar crystallization inhibitor (Hawley's Condensed Chemical Dictionary). As a research chemical, sorbitol is used in photometric determination of Ru (VI) and Ru(VIII) and in acid-base titration of borate (Dictionary of Organic Compounds). Sorbitol occurs widely in nature and is found in simple plants such as algae to higher order plants. Fruits of the plant family Rosacea, which include apples, pears, cherries, apricots, contain appreciable amounts of sorbitol. Particularly rich sources of sorbitol are the fruits of the Sorbus and Crataegus species.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₄O₆

Average Molecular Weight

182.17

Monoisotopic Molecular Weight

182.079

IUPAC Name

(3S,6S)-3,6-dimethyltridecane

Traditional Name

(3S,6S)-3,6-dimethyltridecane

CAS Registry Number

8036-93-9

SMILES

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

InChI Identifier

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

InChI Key

FBPFZTCFMRRESA-JGWLITMVSA-N

Chemical Taxonomy

Classification

Not classified

Ontology

Physiological effect

Health effect:

Health condition:

Uremia

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Animal

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	11 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2750 mg/mL	Not Available
logP	-2.20	SANGSTER (1994)

Predicted Properties

Property	Value	Source
logP	8.09	ALOGPS
logP	6.82	ChemAxon
logS	-6.8	ALOGPS
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	70.71 m³·mol⁻¹	ChemAxon
Polarizability	30.34 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2020-06-30	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2020-06-30	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2020-06-30	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2020-06-30	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2020-06-30	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2020-06-30	View Spectrum