Molecule

ID:69911

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₅
Molecular Mass
350.4492
Exact Mass
350.20932406
Charge
0
InChI
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1
InChIKey
BOJKULTULYSRAS-OTESTREVSA-N
Canonic Smiles
OC[C@]1(C)[C@H](O)CC[C@@]2([C@@H]1CCC(=C)[C@H]2C/C=C/1\[C@H](O)COC1=O)C
Isomeric Smiles
O1C(=O)/C(=C/C[C@@H]2C(=C)CC[C@@H]3[C@]([C@@H](CC[C@@]23C)O)(C)CO)/[C@@H](C1)O
Calculated Properties
JChem
Acid pKa
13.477876
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.6623217
LogD (pH = 7.4)
1.6623213
Log P
1.6623217
Molar Refractivity
94.9305
Polarizability
37.537582
Polar Surface Area
86.99
Rotatable Bonds
3
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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