Molecule

ID:108385

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)/t4-,6+,7+,10+/m0/s1
InChIKey
GRSZFWQUAKGDAV-HGOUYRHRSA-N
Canonic Smiles
O[C@@H]1[C@H](O)[C@@H](O[C@H]1n1cnc2c1[nH]cnc2=O)COP(=O)(O)O
Isomeric Smiles
O[C@@H]1[C@H](COP(=O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=O
Calculated Properties
JChem
Acid pKa
1.2115699
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-4.541765
LogD (pH = 7.4)
-6.1460047
Log P
-3.5082972
Molar Refractivity
71.7713
Polarizability
27.93058
Polar Surface Area
175.73
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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