ChemFOnt: Showing chemical card for 3-O-alpha-D-Xylopyranosyl-L-arabinose (CFc000283205)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 03:36:15 UTC

Chemfont ID

CFc000283205

Molecule Identification

Common Name

3-O-alpha-D-Xylopyranosyl-L-arabinose

Definition

Isolated from the autohydrolysate of golden apple (Spondias cytherea), gum, garden cress mucilage and the partial acid hydrolysates of corn hemicelluloses. 3-O-alpha-D-Xylopyranosyl-L-arabinose is found in cereals and cereal products, fruits, and green vegetables.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-O-a-D-Xylopyranosyl-L-arabinose	Generator
3-O-Α-D-xylopyranosyl-L-arabinose	Generator

Chemical Formula

C₁₀H₁₈O₉

Average Molecular Weight

282.2445

Monoisotopic Molecular Weight

282.095082174

IUPAC Name

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

Traditional Name

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

CAS Registry Number

4119-17-9

SMILES

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

InChI Identifier

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

InChI Key

FVPQAMUWCNJRQW-YSBLRUQRSA-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
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0303689)

Food

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereals and cereal products (FooDB: FOOD00858)

Fruit

Fruits (FooDB: FOOD00871)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	625 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-3.4	ChemAxon
logS	0.34	ALOGPS
pKa (Strongest Acidic)	11.27	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	2	ChemAxon
Refractivity	56.41 m³·mol⁻¹	ChemAxon
Polarizability	25.7 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

HMDB0303689

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018328

KNApSAcK ID

Not Available

Chemspider ID

59696830

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 3-O-alpha-D-Xylopyranosyl-L-arabinose (CFc000283205)

MOL for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

3D MOL for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

3D SDF for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

3D-SDF for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

PDB for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

3D PDB for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

SMILES for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

INCHI for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

Structure for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)

3D Structure for CFc000283205 (3-O-alpha-D-Xylopyranosyl-L-arabinose)