Molecule

ID:102313

General Information
Structure
MolImage
Molecular Formula
C₅H₉Na₂O₈P
Molecular Mass
274.073461
Exact Mass
273.98304244
Charge
0
InChI
InChI=1S/C5H11O8P.2Na/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7;;/h2-8H,1H2,(H2,9,10,11);;/q;2*+1/p-2/t2-,3-,4-,5-;;/m1../s1
InChIKey
RHCIGTFSCDIJGH-OROLBPMVSA-L
Canonic Smiles
O[C@H]1[C@H](O)O[C@@H]([C@H]1O)COP(=O)([O-])[O-].[Na+].[Na+]
Isomeric Smiles
[O-]P(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
1.2226866
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-4.8677535
LogD (pH = 7.4)
-5.958126
Log P
-2.4257703
Molar Refractivity
38.5904
Polarizability
17.04224
Polar Surface Area
142.34
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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