Molecule

ID:89339

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₅
Molecular Mass
202.20446
Exact Mass
202.08412355
Charge
0
InChI
InChI=1S/C9H14O5/c1-9(2)13-6-4-3-11-8(12-4)5(10)7(6)14-9/h4-8,10H,3H2,1-2H3/t4-,5-,6+,7-,8-/m1/s1
InChIKey
IQSQTOWMVAKJTC-JAJWTYFOSA-N
Canonic Smiles
O[C@H]1[C@@H]2OC[C@@H](O2)[C@H]2[C@@H]1OC(O2)(C)C
Isomeric Smiles
CC1(C)O[C@H]2[C@H]3CO[C@H](O3)[C@H](O)[C@H]2O1
Calculated Properties
JChem
Acid pKa
12.357448
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.06841109
LogD (pH = 7.4)
-0.06841581
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
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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