ChemFOnt: Showing chemical card for 5-O-beta-D-Xylopyranosyl-L-arabinose (CFc000019780)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:10:52 UTC

Chemfont ID

CFc000019780

Molecule Identification

Common Name

5-O-beta-D-Xylopyranosyl-L-arabinose

Definition

5-O-beta-D-Xylopyranosyl-L-arabinose is found in fruits. 5-O-beta-D-Xylopyranosyl-L-arabinose is isolated from partial acid hydrolysates of peach, Cholla (Opuntia fulgida), Opuntia ficus-indica (Indian fig) and Virgilia oroboides gums.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-O-b-D-Xylopyranosyl-L-arabinose	Generator
5-O-Β-D-xylopyranosyl-L-arabinose	Generator

Chemical Formula

C₁₀H₁₈O₉

Average Molecular Weight

282.2445

Monoisotopic Molecular Weight

282.095082174

IUPAC Name

(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

Traditional Name

(2S,3R,4S,5R)-2-{[(2S,3R,4R)-3,4,5-trihydroxyoxolan-2-yl]methoxy}oxane-3,4,5-triol

CAS Registry Number

7268-80-6

SMILES

OC1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C10H18O9/c11-3-1-17-10(8(15)5(3)12)18-2-4-6(13)7(14)9(16)19-4/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1

InChI Key

NXRFRJQIYCYJKT-BIDIDBDVSA-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
Tetrahydrofuran
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Ingestion (HMDB: HMDB0038882)

Source

Exogenous

Exogenous (HMDB: HMDB0038882)

Food

Food (HMDB: HMDB0038882)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0038882)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038882)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	559 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-3.4	ChemAxon
logS	0.3	ALOGPS
pKa (Strongest Acidic)	11.26	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	149.07 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	56.41 m³·mol⁻¹	ChemAxon
Polarizability	25.66 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0038882

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018331

KNApSAcK ID

C00058188

Chemspider ID

35014683

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752485

PDB ID

Not Available

ChEBI ID

174694

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 5-O-beta-D-Xylopyranosyl-L-arabinose (CFc000019780)

MOL for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D MOL for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D SDF for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D-SDF for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

PDB for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D PDB for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

SMILES for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

INCHI for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

Structure for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)

3D Structure for CFc000019780 (5-O-beta-D-Xylopyranosyl-L-arabinose)