CAS 35963-20-3|(1R)-(-)-樟脑-10-磺酸|(S)-camphorsulfonic acid|(-)-Camphor-10-sulfonic acid|(-)-樟脑-10-磺酸|[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid|(-)-樟脑-10-磺酸...

General Information

Structure

Molecular Formula

C₁₀H₁₆O₄S

Molecular Mass

232.29664

Exact Mass

232.07692999

Charge

InChI

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)/t7-,10-/m0/s1

InChIKey

MIOPJNTWMNEORI-XVKPBYJWSA-N

Canonic Smiles

O=C1C[C@H]2C([C@@]1(CC2)CS(=O)(=O)O)(C)C

Isomeric Smiles

CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C

Calculated Properties

JChem

Acid pKa

-0.8099843

H Acceptors

H Donor

LogD (pH = 5.5)

-1.3937413

LogD (pH = 7.4)

-1.393791

Log P

0.9826071

Molar Refractivity

54.6607

Polarizability

22.475769

Polar Surface Area

71.44

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(1R)-(-)-樟脑-10-磺酸(-)-Camphor-10-sulfonic acid(-)-樟脑-10-磺酸(-)-樟脑-10-磺酸(1R)-(-)-10-Camphorsulfonic acid(1R)-(-)-Camphor-10-sulfonic acid(1R)-樟脑-10-磺酸(1R)-Camphor-10-sulfonic acid(-)-Camphor-10-sulfonic acid(1R)-(-)-10-樟脑磺酸(1R)-(-)-Camphor-10-sulfonic acid(1R)-(-)-樟脑-10-磺酸(-)-CSA

IUPAC Traditional name

(S)-camphorsulfonic acid

IUPAC name

[(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonic acid

Names and Identifiers

Registration numbers

EC Number

252-817-9

CAS Number

35963-20-3

Beilstein Number

2809676