Molecule

ID:74828

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂B₂O₁₂
Molecular Mass
486.08288
Exact Mass
486.20798726
Charge
0
InChI
InChI=1S/C20H32B2O12/c1-9(2)27-17(23)13-14(18(24)28-10(3)4)32-21(31-13)22-33-15(19(25)29-11(5)6)16(34-22)20(26)30-12(7)8/h9-16H,1-8H3/t13-,14-,15-,16+/m0/s1
InChIKey
GDBJZTBFVNVAPH-YHUYYLMFSA-N
Canonic Smiles
CC(OC(=O)[C@@H]1OB(O[C@@H]1C(=O)OC(C)C)B1O[C@@H]([C@H](O1)C(=O)OC(C)C)C(=O)OC(C)C)C
Isomeric Smiles
B1(B2O[C@@H]([C@H](O2)C(=O)OC(C)C)C(=O)OC(C)C)O[C@H](C(=O)OC(C)C)[C@@H](O1)C(=O)OC(C)C
Calculated Properties
JChem
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
4.7076
LogD (pH = 7.4)
4.7076
Log P
4.7076
Molar Refractivity
103.3152
Polarizability
46.16368
Polar Surface Area
142.12
Rotatable Bonds
13
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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