Molecule

ID:131033

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀K₄O₁₂P₂
Molecular Mass
492.477122
Exact Mass
491.81957574
Charge
0
InChI
InChI=1S/C6H14O12P2.4K/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;;;;/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4/t2-,3-,4+,5-,6-;;;;/m1..../s1
InChIKey
OVRXVCAVDXBPQT-QMKHLHGBSA-J
Canonic Smiles
O[C@@H]1[C@@H](COP(=O)([O-])[O-])O[C@@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-].[K+].[K+].[K+].[K+]
Calculated Properties
JChem
Acid pKa
0.88676584
H Acceptors
10
H Donor
3
LogD (pH = 5.5)
-8.068952
LogD (pH = 7.4)
-10.269987
Log P
-3.1796713
Molar Refractivity
53.1824
Polarizability
23.986917
Polar Surface Area
214.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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