Molecule

ID:107198

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₄
Molecular Mass
134.1305
Exact Mass
134.0579088
Charge
0
InChI
InChI=1S/C5H10O4/c6-3-1-5(8)9-2-4(3)7/h3-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKey
ZVQAVWAHRUNNPG-LMVFSUKVSA-N
Canonic Smiles
O[C@H]1OC[C@H]([C@H](C1)O)O
Isomeric Smiles
O[C@@H]1C[C@H](O)[C@H](O)CO1
Calculated Properties
JChem
Acid pKa
12.33661
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.4015663
LogD (pH = 7.4)
-1.4015713
Log P
-1.4015663
Molar Refractivity
28.4502
Polarizability
11.923472
Polar Surface Area
69.92
Rotatable Bonds
0
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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