Molecule

ID:132310

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂NaO₉P
Molecular Mass
282.117611
Exact Mass
282.01166288
Charge
0
InChI
InChI=1S/C6H13O9P.Na/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
InChIKey
ZALKNDISPIVVKC-WYRLRVFGSA-M
Canonic Smiles
O[C@@H]1O[C@H](COP(=O)(O)[O-])[C@H]([C@@H]([C@H]1O)O)O.[Na+]
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
1.2229363
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-5.498048
LogD (pH = 7.4)
-6.5882425
Log P
-3.0561051
Molar Refractivity
45.6746
Polarizability
19.673773
Polar Surface Area
159.74
Rotatable Bonds
3
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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