Molecule

ID:119632

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₂O₆
Molecular Mass
404.49658
Exact Mass
404.21988874
Charge
0
InChI
InChI=1S/C23H32O6/c1-20-7-5-15(24)9-14(20)3-4-16-17-6-8-22(21(17,2)10-18(25)19(16)20)23(29-13-27-22)11-26-12-28-23/h14,16-17,19H,3-13H2,1-2H3/t14?,16-,17?,19-,20-,21-,22+,23?/m0/s1
InChIKey
ZQDVAXPMAQYWLD-ZIJBNNPCSA-N
Canonic Smiles
O=C1CC[C@]2(C(C1)CC[C@@H]1[C@H]2C(=O)C[C@]2(C1CC[C@]12OCOC21OCOC2)C)C
Isomeric Smiles
[C@]12([C@@]3(C4(OCO3)OCOC4)CCC1[C@H]1[C@H]([C@@]3(C(CC(=O)CC3)CC1)C)C(=O)C2)C
Calculated Properties
JChem
Acid pKa
18.783787
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
3.3513129
LogD (pH = 7.4)
3.3513129
Log P
3.3513129
Molar Refractivity
102.5679
Polarizability
41.695942
Polar Surface Area
71.06
Rotatable Bonds
0
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