Molecule

ID:97064

General Information
Structure
Molecular Formula
C₂₆H₄₃FO₉
Molecular Mass
518.6126232
Exact Mass
518.28911118
Charge
0
InChI
InChI=1S/C26H43FO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16-,17-,18?/m1/s1
InChIKey
YGQXZOVKBRJLJC-XNIMBYMISA-N
Canonic Smiles
FC1O[C@H](COC(=O)C(C)(C)C)[C@H]([C@H]([C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Isomeric Smiles
FC1[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]([C@H](O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
6.790439
LogD (pH = 7.4)
6.790439
Log P
6.790439
Molar Refractivity
125.9581
Polarizability
51.50433
Polar Surface Area
114.43
Rotatable Bonds
13
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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