Molecule

ID:130709

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄O₉
Molecular Mass
408.39916
Exact Mass
408.14203235
Charge
0
InChI
InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17?,18?,19-,20?/m1/s1
InChIKey
FPUXKXIZEIDQKW-ZJZLDMJOSA-N
Canonic Smiles
O=C1O[C@@H]2[C@@]([C@@H]1C)(O)C13C4(C2)[C@H](OC3=O)C[C@H](C24[C@H](O1)OC(=O)[C@@H]2O)C(C)(C)C
Isomeric Smiles
C[C@@H]1C(=O)O[C@@H]2[C@]1(C13C(=O)O[C@H]4C1(C2)C1([C@@H](C4)C(C)(C)C)[C@H](C(=O)O[C@H]1O3)O)O
Calculated Properties
JChem
Acid pKa
11.767949
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
0.33678335
LogD (pH = 7.4)
0.336765
Log P
0.3367836
Molar Refractivity
90.1745
Polarizability
37.710293
Polar Surface Area
128.59
Rotatable Bonds
1
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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