Molecule

ID:133219

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄NO₈P
Molecular Mass
259.151021
Exact Mass
259.04570304
Charge
0
InChI
InChI=1S/C6H14NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,9-11H,2,7H2,(H2,12,13,14)
InChIKey
AEJSSXDYDSUOOZ-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(COP(=O)(O)O)O)O)O)N
Isomeric Smiles
C(C(C(C(C(C=O)N)O)O)O)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.4920142
H Acceptors
8
H Donor
6
LogD (pH = 5.5)
-4.8657613
LogD (pH = 7.4)
-6.320903
Log P
-4.81152
Molar Refractivity
49.876
Polarizability
20.655972
Polar Surface Area
170.54
Rotatable Bonds
7
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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