Molecule

ID:132919

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₂N₃O₉P
Molecular Mass
571.600141
Exact Mass
571.26586657
Charge
0
InChI
InChI=1S/C26H42N3O9P/c1-4-6-8-16-29(17-9-7-5-2)26(34)22(14-15-24(31)32)28-25(33)23(27-19(3)30)18-20-10-12-21(13-11-20)38-39(35,36)37/h10-13,22-23H,4-9,14-18H2,1-3H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
InChIKey
LMADZBIAOYLZDD-GOTSBHOMSA-N
Canonic Smiles
CCCCCN(C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)C)CCC(=O)O)CCCCC
Isomeric Smiles
CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)NC(=O)C
Calculated Properties
JChem
Acid pKa
1.7871758
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-1.5093322
LogD (pH = 7.4)
-3.9376142
Log P
2.2267063
Molar Refractivity
144.0665
Polarizability
56.314014
Polar Surface Area
182.57
Rotatable Bonds
19
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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