ChemFOnt: Showing chemical card for 3-O-beta-D-Galactopyranosyl-L-arabinose (CFc000019752)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:10:49 UTC

Chemfont ID

CFc000019752

Molecule Identification

Common Name

3-O-beta-D-Galactopyranosyl-L-arabinose

Definition

3-O-beta-D-Galactopyranosyl-L-arabinose is found in fruits. 3-O-beta-D-Galactopyranosyl-L-arabinose is isolated from partial acid hydrolysates of Aegle marmelos gum (bael fruit) and from the mucilage of Opuntia ficus-indica (Indian fig).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
3-O-Galactosylarabinose	ChEBI
O(3)-beta-D-Galactopyranosyl-D-arabinose	ChEBI
O(3)-b-D-Galactopyranosyl-D-arabinose	Generator
O(3)-Β-D-galactopyranosyl-D-arabinose	Generator
3-O-b-D-Galactopyranosyl-L-arabinose	Generator
3-O-Β-D-galactopyranosyl-L-arabinose	Generator
3-O-Galactosylarabinose, (L-ara)-isomer	MeSH
Arabinosylgalactose	MeSH
Galactosylarabinose	MeSH
2-Methyl-3-(2-methylphenyl)-4(3H)-quinazolinone	HMDB
2-Methyl-3-(2-methylphenyl)-4-quinazolinone	HMDB
2-Methyl-3-(2-methylphenyl)quinazolin-4(3H)-one	HMDB
2-Methyl-3-(2-methylphenyl)quinazolin-4-one	HMDB
2-Methyl-3-(2-tolyl)quinazol-4-one	HMDB
2-Methyl-3-(O-tolyl)-3,4-dihydro-4-quinazolinone	HMDB
2-Methyl-3-(O-tolyl)-4(3H)-quinazolinone hydrochloride	HMDB
2-Methyl-3-(O-tolyl)-4-quinazolone hydrochloride	HMDB
2-Methyl-3-O--tolyl-4(3H)-quinazolinone	HMDB
2-Methyl-3-O-tolyl-3H-quinazolin-4-one	HMDB
2-Methyl-3-O-tolyl-4 (3H)-chinazolinon	HMDB
2-Methyl-3-O-tolyl-4(3H)-chinazolinon	HMDB
2-Methyl-3-O-tolyl-4(3H)-chinazolone	HMDB
2-Methyl-3-O-tolyl-4(3H)-quinazolinone	HMDB
2-Methyl-3-O-tolyl-4-quinazolone	HMDB
2-Methyl-3-tolyl-4-oxybensdiazine	HMDB
2-Methyl-3-tolylchinazolon-4 hydrochloride	HMDB
3,4-dihydro-2-Methyl-4-oxo-3-O-tolylquinazoline	HMDB
Aqual	HMDB
Cateudyl	HMDB
Citexal	HMDB
Diamthazole dihydrochloride	HMDB
Dormigoa	HMDB
Dormigoa-schlafmittel	HMDB
Dormogen	HMDB
Dormutil	HMDB
Dorsedin	HMDB
Fadormir	HMDB
Holodorm	HMDB
Hyminal	HMDB
Hypocol	HMDB
Hyptor	HMDB
Hyptor base	HMDB
Ipnofil	HMDB
MAOA	HMDB
Melsed	HMDB
Melsedin base	HMDB
Melsomin	HMDB
Mequin	HMDB
Metachalon	HMDB
Metacualona	HMDB
Metakvalon	HMDB
Metaqualon	HMDB
Metaqualone	HMDB
Methachalonum	HMDB
Methaqualon	HMDB
Methaqualone	HMDB
Methaqualone hydrochloride	HMDB
Methaqualoneinone	HMDB
Methaqualonum	HMDB
Methased	HMDB
Methyl-O-tolylquinazolone	HMDB
Methylquinazolone hydrochloride	HMDB
Metolquizolone	HMDB
Mollinox	HMDB
Motolon	HMDB
Mozambin	HMDB
MTQ	HMDB
MTQ Hydrochloride	HMDB
Nethaqualone	HMDB
Nobedorm	HMDB
Noctilene	HMDB
Normi-nox	HMDB
Omnyl	HMDB
Optinoxan	HMDB
Orthonal	HMDB
Ortonal	HMDB
Parminal	HMDB
pro-Dorm	HMDB
Qu.lovin.a.lovin.alude	HMDB
Quaalude	HMDB
Revonal	HMDB
Rorer 148	HMDB
Rorer 714	HMDB
Roulone	HMDB
Rouqualone	HMDB
Sindesvel	HMDB
Somberol	HMDB
Somnafac	HMDB
Somnomed	HMDB
Sonal	HMDB
Sopor	HMDB
Soverin	HMDB
Torinal	HMDB
Tuazole	HMDB
Tuazolone	HMDB

Chemical Formula

C₁₁H₂₀O₁₀

Average Molecular Weight

312.2705

Monoisotopic Molecular Weight

312.10564686

IUPAC Name

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

Traditional Name

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

CAS Registry Number

6055-00-1

SMILES

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

InChI Identifier

InChI=1S/C11H20O10/c12-1-4-5(14)6(15)7(16)11(20-4)21-9-3(13)2-19-10(18)8(9)17/h3-18H,1-2H2/t3-,4+,5-,6-,7+,8+,9-,10?,11-/m0/s1

InChI Key

XSXQXHMPBBNYRD-ANYLNHRWSA-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

Disaccharide
O-glycosyl compound
Oxane
Alpha-hydroxyaldehyde
Secondary alcohol
Acetal
Oxacycle
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Alcohol
Aldehyde
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

disaccharide (CHEBI:73916 )

Functional Ontology

Not Available

Ingestion (HMDB: HMDB0038854)

Source

Exogenous

Exogenous (HMDB: HMDB0038854)

Food

Food (HMDB: HMDB0038854)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0038854)

Process

Not Available

Role

Industrial application

Drug (HMDB: HMDB0038854)

Biological role

Nutrient (HMDB: HMDB0038854)

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	612 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.1	ChemAxon
logS	0.29	ALOGPS
pKa (Strongest Acidic)	11.27	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	169.3 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	62.37 m³·mol⁻¹	ChemAxon
Polarizability	28.1 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

167842

KEGG Compound ID

Not Available

BioCyc ID

CPD-3785

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

193417

PDB ID

Not Available

ChEBI ID

73916

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 3-O-beta-D-Galactopyranosyl-L-arabinose (CFc000019752)

MOL for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

3D MOL for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

3D SDF for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

3D-SDF for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

PDB for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

3D PDB for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

SMILES for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

INCHI for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

Structure for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)

3D Structure for CFc000019752 (3-O-beta-D-Galactopyranosyl-L-arabinose)