Molecule

ID:125122

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₁₀P₂
Molecular Mass
266.037142
Exact Mass
265.95926972
Charge
0
InChI
InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)
InChIKey
LJQLQCAXBUHEAZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(COP(=O)(O)O)O)OP(=O)(O)O
Isomeric Smiles
O=C(OP(=O)(O)O)C(O)COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.0092438
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-7.152294
LogD (pH = 7.4)
-9.198642
Log P
-2.2961707
Molar Refractivity
42.4161
Polarizability
17.807507
Polar Surface Area
170.82
Rotatable Bonds
6
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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