Molecule

ID:124690

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₁₀
Molecular Mass
294.21216
Exact Mass
294.05869665
Charge
0
InChI
InChI=1S/C10H14O10/c11-3-6(13)4-19-8(16)2-10(9(17)18,20-5-12)1-7(14)15/h5-6,11,13H,1-4H2,(H,14,15)(H,17,18)
InChIKey
BQIZCMPACOZACO-UHFFFAOYSA-N
Canonic Smiles
O=COC(C(=O)O)(CC(=O)OCC(CO)O)CC(=O)O
Isomeric Smiles
C(CC(=O)OCC(O)CO)(CC(=O)O)(C(=O)O)OC=O
Calculated Properties
JChem
Acid pKa
3.1289437
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-5.0961676
LogD (pH = 7.4)
-7.9733787
Log P
-2.1048036
Molar Refractivity
57.3088
Polarizability
23.557753
Polar Surface Area
167.66
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation