Molecule

ID:111207

General Information
Structure
MolImage
Molecular Formula
C₃H₁₆O₁₇Pr₂
Molecular Mass
605.96424
Exact Mass
605.85405305
Charge
0
InChI
InChI=1S/3CH2O3.8H2O.2Pr/c3*2-1(3)4;;;;;;;;;;/h3*(H2,2,3,4);8*1H2;;/q;;;;;;;;;;;2*+3/p-6
InChIKey
SEHQEMTYQGRHIC-UHFFFAOYSA-H
Canonic Smiles
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O.O.O.O.O.O.O.O.[Pr+3].[Pr+3]
Isomeric Smiles
O.O.O.O.O.O.O.O.[Pr+3].[Pr+3].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
Calculated Properties
JChem
Acid pKa
6.0525417
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.142811
LogD (pH = 7.4)
-1.1138874
Log P
0.25005138
Molar Refractivity
31.1724
Polarizability
3.6386902
Polar Surface Area
63.19
Rotatable Bonds
0
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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