Molecule

ID:103153

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₃O₈P
Molecular Mass
323.196521
Exact Mass
323.05185105
Charge
0
InChI
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
InChIKey
UOOOPKANIPLQPU-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(C(C1OP(=O)(O)O)O)n1ccc(nc1=O)N
Isomeric Smiles
Nc1nc(=O)n(cc1)C1OC(CO)C(OP(=O)(O)O)C1O
Calculated Properties
JChem
Acid pKa
0.9248102
H Acceptors
9
H Donor
5
LogD (pH = 5.5)
-5.438055
LogD (pH = 7.4)
-6.7513933
Log P
-3.2232413
Molar Refractivity
65.4177
Polarizability
26.073345
Polar Surface Area
175.14
Rotatable Bonds
4
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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