Molecule

ID:131537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄NaO₈P
Molecular Mass
370.187811
Exact Mass
370.02904428
Charge
0
InChI
InChI=1S/C10H13N4O8P.Na/c15-1-4-7(22-23(18,19)20)6(16)10(21-4)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);/q;+1/p-1
InChIKey
FSKUXQMOOWGWCM-UHFFFAOYSA-M
Canonic Smiles
OCC1OC(C(C1OP(=O)(O)[O-])O)n1cnc2c1[nH]cnc2=O.[Na+]
Isomeric Smiles
c1[nH]c2c(c(=O)n1)ncn2C1C(C(C(O1)CO)OP(=O)([O-])O)O.[Na+]
Calculated Properties
JChem
Acid pKa
0.85968083
H Acceptors
10
H Donor
4
LogD (pH = 5.5)
-4.619762
LogD (pH = 7.4)
-6.453641
Log P
-3.7651238
Molar Refractivity
70.6496
Polarizability
27.811596
Polar Surface Area
178.56
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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