Molecule

ID:102955

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₈NaO₁₀P₂+
Molecular Mass
491.203052
Exact Mass
491.02058123
Charge
1
InChI
InChI=1S/C10H14N8O10P2.Na/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(20)5(19)3(27-9)1-26-30(24,25)28-29(21,22)23;/h2-3,5-6,9,19-20H,1H2,(H,24,25)(H2,11,13,14)(H2,21,22,23);/q;+1/t3-,5-,6-,9-;/m1./s1
InChIKey
NAIPNMIGSDVODT-GWTDSMLYSA-N
Canonic Smiles
[N-]=[N+]=Nc1nc2c(n1[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O)ncnc2N.[Na+]
Isomeric Smiles
[Na+].Nc1c2nc(N=[N+]=[N-])n([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2ncn1
Calculated Properties
JChem
Acid pKa
1.771107
H Acceptors
14
H Donor
6
LogD (pH = 5.5)
-6.091919
LogD (pH = 7.4)
-6.680338
Log P
-3.6344032
Molar Refractivity
94.7023
Polarizability
36.283497
Polar Surface Area
262.03
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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