Molecule

ID:107292

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄O₅
Molecular Mass
390.51306
Exact Mass
390.24062419
Charge
0
InChI
InChI=1S/C23H34O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15,17-19,27H,4-13H2,1-3H3/t15-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey
SDSTWQKFZBIDEK-VBDJFXSVSA-N
Canonic Smiles
O=C1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)COC(=O)C)C)C
Isomeric Smiles
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Calculated Properties
JChem
Acid pKa
12.616943
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.070891
LogD (pH = 7.4)
3.0708883
Log P
3.070891
Molar Refractivity
104.1323
Polarizability
41.72892
Polar Surface Area
80.67
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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