Molecule

ID:105531

General Information
Structure
MolImage
Molecular Formula
C₆H₁₈O₂₄P₆
Molecular Mass
660.035286
Exact Mass
659.86137124
Charge
0
InChI
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)
InChIKey
IMQLKJBTEOYOSI-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
Isomeric Smiles
OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
0.1432375
H Acceptors
18
H Donor
12
LogD (pH = 5.5)
-14.68515
LogD (pH = 7.4)
-20.04918
Log P
-4.523406
Molar Refractivity
101.0124
Polarizability
43.2179
Polar Surface Area
400.56
Rotatable Bonds
12
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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