Molecule

ID:103004

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄KN₅O₁₀P₂
Molecular Mass
465.291482
Exact Mass
464.98529661
Charge
0
InChI
InChI=1S/C10H15N5O10P2.K/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
InChIKey
ZNCWUOPIJTUALR-MCDZGGTQSA-M
Canonic Smiles
O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)[O-])O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N.[K+]
Isomeric Smiles
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)([O-])O)[C@@H](O)[C@H]1O.[K+]
Calculated Properties
JChem
Acid pKa
1.7714787
H Acceptors
12
H Donor
5
LogD (pH = 5.5)
-7.1348915
LogD (pH = 7.4)
-7.671735
Log P
-4.982523
Molar Refractivity
83.8197
Polarizability
33.73472
Polar Surface Area
235.43
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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