Molecule

ID:129593

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈NO₅P
Molecular Mass
379.471781
Exact Mass
379.24875995
Charge
0
InChI
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1
InChIKey
DUYSYHSSBDVJSM-ZWKOTPCHSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
Isomeric Smiles
O=P(O)(OC[C@H](N)[C@H](O)/C=C/CCCCCCCCCCCCC)O
Calculated Properties
JChem
Acid pKa
1.510148
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
3.3954642
LogD (pH = 7.4)
2.525948
Log P
3.4308577
Molar Refractivity
102.7649
Polarizability
40.662235
Polar Surface Area
113.01
Rotatable Bonds
17
Lipinski's Rule of Five
true
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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