ChemFOnt: Showing chemical card for (2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid (CFc000128876)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 21:57:32 UTC

Chemfont ID

CFc000128876

Molecule Identification

Common Name

(2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid

Definition

(2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Based on a literature review a significant number of articles have been published on (2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2,3,5-Trihydroxyoxan-4-yl)oxidanesulfonate	Generator
(2,3,5-Trihydroxyoxan-4-yl)oxidanesulphonate	Generator
(2,3,5-Trihydroxyoxan-4-yl)oxidanesulphonic acid	Generator

Chemical Formula

C₅H₁₀O₈S

Average Molecular Weight

230.19

Monoisotopic Molecular Weight

230.009638456

IUPAC Name

(2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid

Traditional Name

(2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid

CAS Registry Number

Not Available

SMILES

OC1COC(O)C(O)C1OS(O)(=O)=O

InChI Identifier

InChI=1S/C5H10O8S/c6-2-1-12-5(8)3(7)4(2)13-14(9,10)11/h2-8H,1H2,(H,9,10,11)

InChI Key

OXQDLIHHOBVDDX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

Alternative Parents

Substituents

Monosaccharide
Oxane
Sulfuric acid monoester
Sulfate-ester
Sulfuric acid ester
Alkyl sulfate
Organic sulfuric acid or derivatives
Secondary alcohol
Hemiacetal
Oxacycle
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Alcohol
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0148467)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	114 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-4.1	ChemAxon
logS	-0.31	ALOGPS
pKa (Strongest Acidic)	-2.1	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	133.52 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	39.95 m³·mol⁻¹	ChemAxon
Polarizability	18.55 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0148467

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

75166395

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid (CFc000128876)

MOL for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

3D MOL for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

3D SDF for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

3D-SDF for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

PDB for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

3D PDB for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

SMILES for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

INCHI for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

Structure for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)

3D Structure for CFc000128876 ((2,3,5-trihydroxyoxan-4-yl)oxidanesulfonic acid)