2D Structure

Tetrabenzyldiphosphate


  • SKU Code: CH141535
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Chemical Name - Tetrabenzyldiphosphate
Mol Weight - 538.471
Smiles - O=P(OCc1ccccc1)(OCc1ccccc1)OP(OCc1ccccc1)(OCc1ccccc1)=O
Property Name Property Value
Mol NameTetrabenzyldiphosphate
Molweight538.471
Monoisotopic Mass538.131029
Clogp3.9342
Clogs-4.478
H Acceptors7
Total Surface Area405.12
Relative Psa0.20744
Polar Surface Area99.91
Druglikeness-18.488
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.40541
Molecular Flexibility0.54176
Molecular Complexity0.67908
Fragments1
Non H Atoms37
Non Ch Atoms9
Electronegative Atoms9
Rotatable Bonds14
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3 Atoms11
Symmetric Atoms28
SmilesO=P(OCc1ccccc1)(OCc1ccccc1)OP(OCc1ccccc1)(OCc1ccccc1)=O
InChIKeyInChI=1S/C28H28O7P2/c29-36(31-21-25-13-5-1-6-14-25,32-22-26-15-7-2-8-16-26)35-37(30,33-23-27-17-9-3-10-18-27)34-24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChINSBNXCZCLRBQTA-UHFFFAOYSA-N

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