Molecule

ID:125481

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₁₀P₂
Molecular Mass
308.116882
Exact Mass
308.00621991
Charge
0
InChI
InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)
InChIKey
SIGQQUBJQXSAMW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(CCOP(=O)(OP(=O)(O)O)O)(O)C
Isomeric Smiles
O=P(OP(=O)(O)O)(OCCC(O)(C)CC(=O)O)O
Calculated Properties
JChem
Acid pKa
1.7759297
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-7.402006
LogD (pH = 7.4)
-9.674139
Log P
-1.6387441
Molar Refractivity
56.2572
Polarizability
23.06146
Polar Surface Area
170.82
Rotatable Bonds
8
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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