Molecule

ID:4352

General Information
Structure
Molecular Formula
C₁₂H₂₆N₄O₆
Molecular Mass
322.35804
Exact Mass
322.18523457
Charge
0
InChI
InChI=1S/C12H26N4O6/c13-2-5-8(18)9(19)6(16)12(21-5)22-11-4(15)1-3(14)7(17)10(11)20/h3-12,17-20H,1-2,13-16H2/t3-,4+,5-,6-,7+,8-,9-,10-,11-,12-/m1/s1
InChIKey
SYJXFKPQNSDJLI-HKEUSBCWSA-N
Canonic Smiles
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@H]([C@@H]([C@H]2O)O)N)[C@@H]([C@H]([C@@H]1O)O)N
Isomeric Smiles
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-9.22
LogD (pH = 5.5)
-15.11
Log P
-5.29
Rotatable Bonds
3
H Donor
8
H Acceptors
10
Lipinski's Rule of Five
false
Acid pKa
9.36
Polar Surface Area
203.46
Polarizability
32.10
Molar Refractivity
73.72
LOG S
-0.08
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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