Molecule

ID:127971

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₃O₉
Molecular Mass
379.363
Exact Mass
379.1590794
Charge
0
InChI
InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1
InChIKey
PVTHJAPFENJVNC-MHRBZPPQSA-N
Canonic Smiles
N[C@H]1C[C@H](NC(=N)C(=O)O)[C@H](O[C@@H]1O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)O)C
Isomeric Smiles
OC(=O)C(=N)N[C@H]1C[C@H](N)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H]1C
Calculated Properties
JChem
LogD (pH = 7.4)
-6.42
LogD (pH = 5.5)
-6.39
Log P
-6.32
Rotatable Bonds
4
H Donor
9
H Acceptors
12
Lipinski's Rule of Five
false
Acid pKa
5.02
Polar Surface Area
218.81
Polarizability
35.57
Molar Refractivity
92.57
LOG S
-0.90
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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