Molecule

ID:126298

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁O₇P
Molecular Mass
308.264701
Exact Mass
308.10248964
Charge
0
InChI
InChI=1S/C12H21O7P/c1-4-7-10(13)17-20(16,18-11(14)8-5-2)19-12(15)9-6-3/h4-9H2,1-3H3
InChIKey
SDPAWCIKJKIBPH-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)OP(=O)(OC(=O)CCC)OC(=O)CCC
Isomeric Smiles
O=C(OP(=O)(OC(=O)CCC)OC(=O)CCC)CCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8438885
LogD (pH = 7.4)
2.8438885
Log P
2.8438885
Molar Refractivity
69.7901
Polarizability
28.624647
Polar Surface Area
95.97
Rotatable Bonds
12
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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