ChemFOnt: Showing chemical card for Mannobiose (CFc000011154)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:58:49 UTC

Chemfont ID

CFc000011154

Molecule Identification

Common Name

Mannobiose

Definition

The major repeating unit in the mannose chains of plant mannans, galacto and glucomannans. It is isolated from partial acid hydrolysates of ivory nut (Phytelephas macrocarpa) mannan, guaran (Cyamopsis sp.), palmyra palm nut mannan (Borassus flabellifer), fenugreek (Trigonella foenum-graecum), lucerne (Medicago sativa) galactomannans, western hemlock wood cellulose (Tsuga heterophylla), white spruce (Picea glauca), Larix decidua, Pinus strobus and red maple (Acer rubrum) glucomannans and Pinus taeda hemicellulose. Also from the mucilage in the bulbs of Narcissus tazetta, the exocellular yeast mannan of Rhodotorula glutinis and from Sesbania aegyptiaca seed

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-O-beta-D-Mannopyranosyl-beta-D-mannopyranose	ChEBI
WURCS=2.0/1,2,1/[a1122h-1b_1-5]/1-1/a4-b1	ChEBI
4-O-b-D-Mannopyranosyl-b-D-mannopyranose	Generator
4-O-Β-D-mannopyranosyl-β-D-mannopyranose	Generator
4-O-(beta-D-Mannopyranosyl)-D-mannose	HMDB
4-O-beta-D-Mannopyranosyl-D-mannopyranose	HMDB
4-O-beta-D-Mannopyranosyl-D-mannose	HMDB
4-O-beta-D-Mannopyranosyl-mannopyranose	HMDB
beta-1,4-Mannobiose	HMDB
beta-D-Mannopyranosyl-(1->4)-D-mannopyranose	HMDB
beta-D-Mannopyranosyl-(1->4)-D-mannose	HMDB
b-Mannobiose	HMDB
Β-mannobiose	HMDB
Mannobiose	ChEBI

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.2965

Monoisotopic Molecular Weight

342.116211546

IUPAC Name

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol

Traditional Name

β-mannobiose

CAS Registry Number

14417-51-7

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1

InChI Key

GUBGYTABKSRVRQ-PZPXDAEZSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

mannobiose (CHEBI:28085 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029933)
Cytoplasm (HMDB: HMDB0029933)

Source

Endogenous

Endogenous (HMDB: HMDB0029933)

Exogenous

Food

Food (HMDB: HMDB0029933)

Exogenous (HMDB: HMDB0029933)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0029933)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	586 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	11.25	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	31.06 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon