Molecule

ID:133600

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄NNaO₈P
Molecular Mass
282.140791
Exact Mass
282.03547232
Charge
0
InChI
InChI=1S/C6H14NO8P.Na/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
XTXCKRQPOHPMNY-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(C(COP(=O)(O)O)O)O)O)N.[Na]
Isomeric Smiles
C(C(C(C(C(C=O)N)O)O)O)OP(=O)(O)O.[Na]
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
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References
Bioactivity
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