Molecule

ID:73275

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₈O₁₁
Molecular Mass
480.46182
Exact Mass
480.16316172
Charge
0
InChI
InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13?,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKey
YKRGDOXKVOZESV-BZXJDTEKSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O[C@@]23C[C@@H]4[C@@]3(COC(=O)c3ccccc3)[C@@H]3O[C@@]2(C)C[C@]4(O3)O)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O[C@]12[C@@]3([C@@H]4O[C@@]1(C)C[C@]([C@@H]3C2)(O4)O)COC(=O)c1ccccc1)O)O)O)CO
Calculated Properties
JChem
Acid pKa
11.543816
H Acceptors
10
H Donor
5
LogD (pH = 5.5)
-0.38655037
LogD (pH = 7.4)
-0.38658112
Log P
-0.38654998
Molar Refractivity
109.3037
Polarizability
44.8915
Polar Surface Area
164.37
Rotatable Bonds
7
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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