Molecule

ID:89341

General Information
Structure
Molecular Formula
C₉H₁₄O₅
Molecular Mass
202.20446
Exact Mass
202.08412355
Charge
0
InChI
InChI=1S/C9H14O5/c1-9(2)13-6-5(10)4-3-11-8(12-4)7(6)14-9/h4-8,10H,3H2,1-2H3
InChIKey
VEESJHGZLRXGHP-UHFFFAOYSA-N
Canonic Smiles
OC1C2COC(O2)C2C1OC(O2)(C)C
Isomeric Smiles
CC1(OC2C(C3COC(C2O1)O3)O)C
Calculated Properties
JChem
Acid pKa
13.040293
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.068411045
LogD (pH = 7.4)
-0.06841202
Log P
-0.06841103
Molar Refractivity
44.6203
Polarizability
18.670086
Polar Surface Area
57.15
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
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Molecule Details
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References
Bioactivity
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