Molecule

ID:129164

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₆O₆
Molecular Mass
432.54974
Exact Mass
432.25118887
Charge
0
InChI
InChI=1S/C25H36O6/c1-11(2)8-15-9-13(4)16-7-6-12(3)18-20(16)19(15)14(5)21(27)24(18)31-25-23(29)22(28)17(26)10-30-25/h8,12-13,15-17,22-23,25-29H,6-7,9-10H2,1-5H3/t12-,13-,15-,16+,17+,22-,23+,25-/m0/s1
InChIKey
DBGVVIGAVAIWRU-GYGPFBJXSA-N
Canonic Smiles
CC(=C[C@H]1C[C@H](C)[C@@H]2c3c1c(C)c(O)c(c3[C@H](CC2)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C
Isomeric Smiles
O[C@H]1[C@H](Oc2c3c4c(c(c2O)C)[C@@H](C=C(C)C)C[C@H](C)[C@H]4CC[C@@H]3C)OC[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
10.460815
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
4.1069703
LogD (pH = 7.4)
4.1066
Log P
4.106975
Molar Refractivity
119.3601
Polarizability
46.502064
Polar Surface Area
99.38
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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