Molecule

ID:2161

General Information
Structure
Molecular Formula
H₃O₆P₂S-
Molecular Mass
193.032742
Exact Mass
192.91255708
Charge
-1
InChI
InChI=1S/H4O6P2S/c1-7(2,3)6-8(4,5)9/h(H2,1,2,3)(H2,4,5,9)/p-1
InChIKey
HWTUHTNZLQJJEV-UHFFFAOYSA-M
Canonic Smiles
[S-][P@](=O)(OP(=O)(O)O)O
Isomeric Smiles
OP(=O)(O)O[P@](=O)(O)[S-]
Calculated Properties
JChem
Acid pKa
0.8891724
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.4529324
LogD (pH = 7.4)
-4.9417567
Log P
-0.6963213
Molar Refractivity
32.394
Polarizability
13.467893
Polar Surface Area
104.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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