Molecule

ID:132905

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NaO₈P
Molecular Mass
253.099571
Exact Mass
253.00892322
Charge
0
InChI
InChI=1S/C5H11O8P.Na/c6-1-3(7)5(9)4(8)2-13-14(10,11)12;/h1,3-5,7-9H,2H2,(H2,10,11,12);
InChIKey
HSVYFEKZUCTIDT-UHFFFAOYSA-N
Canonic Smiles
O=CC(C(C(COP(=O)(O)O)O)O)O.[Na]
Isomeric Smiles
C(C(C(C(C=O)O)O)O)OP(=O)(O)O.[Na]
Calculated Properties
JChem
Acid pKa
1.4910102
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-5.467744
LogD (pH = 7.4)
-6.3607407
Log P
-3.0615916
Molar Refractivity
42.256
Polarizability
17.37363
Polar Surface Area
144.52
Rotatable Bonds
6
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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