Molecule

ID:2244

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₁₂P₂
Molecular Mass
340.115682
Exact Mass
339.99604915
Charge
0
InChI
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1
InChIKey
XPYBSIWDXQFNMH-PQLUHFTBSA-N
Canonic Smiles
O[C@@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)COP(=O)(O)O
Isomeric Smiles
O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)C(=O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-10.38
LogD (pH = 5.5)
-8.37
Log P
-3.51
Rotatable Bonds
9
H Donor
7
H Acceptors
10
Lipinski's Rule of Five
false
Acid pKa
1.01
Polar Surface Area
211.28
Polarizability
25.35
Molar Refractivity
59.31
LOG S
2.25
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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