Molecule

ID:108306

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₅S
Molecular Mass
210.24806
Exact Mass
210.05619455
Charge
0
InChI
InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
InChIKey
LZFNFLTVAMOOPJ-PZRMXXKTSA-N
Canonic Smiles
CS[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@H]1SC)CO
Calculated Properties
JChem
Acid pKa
12.483309
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.5784216
LogD (pH = 7.4)
-1.578425
Log P
-1.5784215
Molar Refractivity
46.7948
Polarizability
19.30825
Polar Surface Area
90.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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