ChemFOnt: Showing chemical card for Camphorsulfonic acid (CFc000223032)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:44:20 UTC

Chemfont ID

CFc000223032

Molecule Identification

Common Name

Camphorsulfonic acid

Definition

Camphorsulfonic acid, also known as 10-CSA or camphersulfosaeure, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review very few articles have been published on Camphorsulfonic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
10-CSA	ChEBI
2-Oxobornane-10-sulphonic acid	ChEBI
Camphersulfosaeure	ChEBI
CSA	ChEBI
Reychler's acid	ChEBI
2-Oxobornane-10-sulfonate	Generator
2-Oxobornane-10-sulfonic acid	Generator
2-Oxobornane-10-sulphonate	Generator
Camphersulphosaeure	Generator
Camphorsulfonate	Generator
Camphorsulphonate	Generator
Camphorsulphonic acid	Generator
(7,7-Dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulfonate	HMDB
(7,7-Dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulphonate	HMDB
(7,7-Dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)methanesulphonic acid	HMDB
10-Camphorsulfonic acid, (1S,4R)-(+)-isomer	HMDB
10-Camphorsulfonic acid, ammonium salt	HMDB
10-Camphorsulfonic acid, sodium salt	HMDB
10-Camphorsulfonic acid, piperazine salt	HMDB
10-Camphorsulfonic acid, calcium salt	HMDB
Solucampher	HMDB
10-Camphorsulfonic acid, (+-)-isomer	HMDB
10-Camphorsulfonic acid, (1R)-isomer	HMDB
10-Camphorsulfonic acid, aluminum salt	HMDB
10-Camphorsulfonic acid, bismuth (3+) salt	HMDB
10-Camphorsulfonic acid	HMDB

Chemical Formula

C₁₀H₁₆O₄S

Average Molecular Weight

232.29

Monoisotopic Molecular Weight

232.076930169

IUPAC Name

{7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl}methanesulfonic acid

Traditional Name

camphorsulfonic acid

CAS Registry Number

3144-16-9

SMILES

CC1(C)C2CCC1(CS(O)(=O)=O)C(=O)C2

InChI Identifier

InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)

InChI Key

MIOPJNTWMNEORI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Bicyclic monoterpenoid
Bornane monoterpenoid
Alkanesulfonic acid
Sulfonyl
Organosulfonic acid
Organosulfonic acid or derivatives
Organic sulfonic acid or derivatives
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

organosulfonic acid (CHEBI:55379 )

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	3.72 g/L	ALOGPS
logP	-0.53	ALOGPS
logP	0.98	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	-0.81	ChemAxon
pKa (Strongest Basic)	-7.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	71.44 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	54.66 m³·mol⁻¹	ChemAxon
Polarizability	22.88 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0243496

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

17438

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Camphorsulfonic acid

METLIN ID

Not Available

PubChem Compound

18462

PDB ID

Not Available

ChEBI ID

55379

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Camphorsulfonic acid (CFc000223032)

MOL for CFc000223032 (Camphorsulfonic acid)

3D MOL for CFc000223032 (Camphorsulfonic acid)

3D SDF for CFc000223032 (Camphorsulfonic acid)

3D-SDF for CFc000223032 (Camphorsulfonic acid)

PDB for CFc000223032 (Camphorsulfonic acid)

3D PDB for CFc000223032 (Camphorsulfonic acid)

SMILES for CFc000223032 (Camphorsulfonic acid)

INCHI for CFc000223032 (Camphorsulfonic acid)

Structure for CFc000223032 (Camphorsulfonic acid)

3D Structure for CFc000223032 (Camphorsulfonic acid)