Molecule

ID:127120

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆O₆P₂S₄
Molecular Mass
456.538762
Exact Mass
456.00874581
Charge
0
InChI
InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
InChIKey
VBKKVDGJXVOLNE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=S)(SC1OCCOC1SP(=S)(OCC)OCC)OCC
Isomeric Smiles
S=P(SC1OCCOC1SP(=S)(OCC)OCC)(OCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3824644
LogD (pH = 7.4)
4.3824644
Log P
4.3824644
Molar Refractivity
111.8714
Polarizability
45.91567
Polar Surface Area
55.38
Rotatable Bonds
12
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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