Molecule

ID:136807

General Information
Structure
MolImage
Molecular Formula
C₅₅H₉₈O₆P₂
Molecular Mass
917.310542
Exact Mass
916.68386412
Charge
0
InChI
InChI=1S/C55H98O6P2/c1-47(2)31-23-15-11-19-27-43-56-62(57-44-28-20-12-16-24-32-48(3)4)60-53-39-35-51(36-40-53)55(9,10)52-37-41-54(42-38-52)61-63(58-45-29-21-13-17-25-33-49(5)6)59-46-30-22-14-18-26-34-50(7)8/h35-42,47-50H,11-34,43-46H2,1-10H3
InChIKey
NXWSPAKNTFSINP-UHFFFAOYSA-N
Canonic Smiles
CC(CCCCCCCOP(Oc1ccc(cc1)C(c1ccc(cc1)OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C)(C)C)OCCCCCCCC(C)C)C
Isomeric Smiles
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccc(cc1)C(C)(C)c1ccc(cc1)OP(OCCCCCCCC(C)C)OCCCCCCCC(C)C
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
20.0506
LogD (pH = 7.4)
20.0506
Log P
20.0506
Molar Refractivity
284.4147
Polarizability
108.61595
Polar Surface Area
55.38
Rotatable Bonds
42
Lipinski's Rule of Five
false
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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