Molecule

ID:74978

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₅P
Molecular Mass
196.138181
Exact Mass
196.05006015
Charge
0
InChI
InChI=1S/C6H13O5P/c1-9-6(7)4-5-12(8,10-2)11-3/h4-5H2,1-3H3
InChIKey
DUCGXDQPWFCMNZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCP(=O)(OC)OC
Isomeric Smiles
O(C)C(=O)CCP(=O)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.28487256
LogD (pH = 7.4)
-0.28487256
Log P
-0.28487256
Molar Refractivity
41.8195
Polarizability
17.420135
Polar Surface Area
61.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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