Molecule

ID:130678

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂O₆
Molecular Mass
368.46448
Exact Mass
368.21988874
Charge
0
InChI
InChI=1S/C20H32O6/c1-7-17(4)10-12(22)20(25)18(5)11(21)8-9-16(2,3)14(18)13(23)15(24)19(20,6)26-17/h7,11,13-15,21,23-25H,1,8-10H2,2-6H3/t11-,13-,14-,15-,17-,18-,19+,20-/m0/s1
InChIKey
WPDITXOBNLYZHH-KAACEJSMSA-N
Canonic Smiles
C=C[C@@]1(C)CC(=O)[C@]2([C@@](O1)(C)[C@@H](O)[C@H]([C@@H]1[C@]2(C)[C@@H](O)CCC1(C)C)O)O
Isomeric Smiles
C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)O)O)(C)C)O)C)O)C=C
Calculated Properties
JChem
Acid pKa
11.549918
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
0.9149898
LogD (pH = 7.4)
0.9149595
Log P
0.9149902
Molar Refractivity
95.3166
Polarizability
38.431896
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation