Molecule

ID:109413

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₄O₈P
Molecular Mass
348.205981
Exact Mass
348.04710003
Charge
0
InChI
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
InChIKey
GRSZFWQUAKGDAV-UHFFFAOYSA-N
Canonic Smiles
OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O
Isomeric Smiles
OC1C(COP(=O)(O)O)OC(C1O)n1cnc2c1ncnc2O
Calculated Properties
JChem
Acid pKa
1.2536783
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-4.1273813
LogD (pH = 7.4)
-5.2196636
Log P
-3.2684755
Molar Refractivity
71.349
Polarizability
28.629538
Polar Surface Area
180.28
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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