Molecule

ID:103287

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃Li₄N₆O₁₂P₃
Molecular Mass
529.928503
Exact Mass
530.04444798
Charge
0
InChI
InChI=1S/C10H17N6O12P3.4Li/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21;;;;/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23);;;;/q;4*+1/p-4
InChIKey
FDBDJIGGLGUOPP-UHFFFAOYSA-J
Canonic Smiles
OC1C(COP(=O)(OP(=O)(NP(=O)([O-])[O-])[O-])[O-])OC(C1O)n1cnc2c1ncnc2N.[Li+].[Li+].[Li+].[Li+]
Isomeric Smiles
[Li+].[Li+].[Li+].[Li+].Nc1ncnc2c1ncn2C1OC(COP(=O)([O-])OP(=O)([O-])NP(=O)([O-])[O-])C(O)C1O
Calculated Properties
JChem
Acid pKa
-7.0347695
H Acceptors
14
H Donor
4
LogD (pH = 5.5)
-10.606115
LogD (pH = 7.4)
-12.588192
Log P
-7.64975
Molar Refractivity
93.2773
Polarizability
38.54618
Polar Surface Area
293.25
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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