Molecule

ID:4233

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₅NO₁₅
Molecular Mass
529.4896
Exact Mass
529.20066943
Charge
0
InChI
InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKey
PHTAQVMXYWFMHF-QVPNGJTFSA-N
Canonic Smiles
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@@H]1O)O)O)O)O)O)NC(=O)C
Isomeric Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.72
LogD (pH = 5.5)
-5.72
Log P
-5.72
Rotatable Bonds
7
H Donor
10
H Acceptors
15
Lipinski's Rule of Five
false
Acid pKa
11.44
Polar Surface Area
257.32
Polarizability
50.57
Molar Refractivity
110.31
LOG S
-0.10
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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