CAS 127854-46-0|Dimethyl D-tartrate cycl-sulfate|D-酒石酸环硫酸二甲酯|Dimethyl (4S,5S)-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide|4,5-dimethyl (4S,5S)-2,2-dioxo-1,3,2λ<sup>6</sup>-dioxathiol...

General Information

Structure

Molecular Formula

C₆H₈O₈S

Molecular Mass

240.18792

Exact Mass

239.99398822

Charge

InChI

InChI=1S/C6H8O8S/c1-11-5(7)3-4(6(8)12-2)14-15(9,10)13-3/h3-4H,1-2H3/t3-,4-/m0/s1

InChIKey

YZPCWPMIVKWDOZ-IMJSIDKUSA-N

Canonic Smiles

COC(=O)[C@H]1OS(=O)(=O)O[C@@H]1C(=O)OC

Isomeric Smiles

COC(=O)[C@@H]1[C@H](OS(=O)(=O)O1)C(=O)OC

Calculated Properties

JChem

Acid pKa

14.107076

H Acceptors

H Donor

LogD (pH = 5.5)

-0.35215488

LogD (pH = 7.4)

-0.35215497

Log P

-0.5854882

Molar Refractivity

41.9644

Polarizability

18.686085

Polar Surface Area

105.2

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Dimethyl D-tartrate cycl-sulfateD-酒石酸环硫酸二甲酯Dimethyl (4S,5S)-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide(4S,5S)-1,3,2-二噁硫烷-4,5-二羧酸二甲酯 2,2-二氧化物(+)-2,3-O-磺酰基-D-酒石酸二甲酯(+)-Dimethyl 2,3-O-sulfonyl-D-tartrate

IUPAC Traditional name

4,5-dimethyl (4S,5S)-2,2-dioxo-1,3,2λ⁶-dioxathiolane-4,5-dicarboxylate

IUPAC name

4,5-dimethyl (4S,5S)-2,2-dioxo-1,3,2λ⁶-dioxathiolane-4,5-dicarboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD00077753

CAS Number

127854-46-0

Beilstein Number

6219088