Molecule

ID:130654

General Information
Structure
MolImage
Molecular Formula
C₂₄H₅₈N₂O₇P₂
Molecular Mass
548.674042
Exact Mass
548.37192547
Charge
0
InChI
InChI=1S/2C12H27N.H4O7P2/c2*1-4-7-10-13(11-8-5-2)12-9-6-3;1-8(2,3)7-9(4,5)6/h2*4-12H2,1-3H3;(H2,1,2,3)(H2,4,5,6)
InChIKey
WRMXOVHLRUVREB-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(OP(=O)(O)O)O.CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC
Isomeric Smiles
CCCCN(CCCC)CCCC.CCCCN(CCCC)CCCC.OP(=O)(O)OP(=O)(O)O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.666948
LogD (pH = 7.4)
1.0014513
Log P
4.1618667
Molar Refractivity
61.6089
Polarizability
24.42432
Polar Surface Area
3.24
Rotatable Bonds
20
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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