Molecule

ID:132142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₅O₆P
Molecular Mass
331.221821
Exact Mass
331.06816982
Charge
0
InChI
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(6(2-16)20-7)21-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey
UEUPTUCWIHOIMK-RRKCRQDMSA-N
Canonic Smiles
OC[C@H]1O[C@H](C[C@@H]1OP(=O)(O)O)n1cnc2c1ncnc2N
Isomeric Smiles
c1nc(c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)CO)OP(=O)(O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-4.98
LogD (pH = 5.5)
-4.05
Log P
-4.34
Rotatable Bonds
4
H Donor
4
H Acceptors
9
Lipinski's Rule of Five
true
Acid pKa
1.09
Polar Surface Area
165.84
Polarizability
28.91
Molar Refractivity
72.56
LOG S
-0.57
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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