Molecule

ID:129332

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆O₅
Molecular Mass
334.40674
Exact Mass
334.17802393
Charge
0
InChI
InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1
InChIKey
OMQCWEJQYPUGJG-DTDIXVHCSA-N
Canonic Smiles
O=C1C=C2[C@@H]([C@@]3([C@H]1C[C@@H](O)[C@H](C3)O)C)CC[C@]1([C@@]2(O)CCC1=O)C
Isomeric Smiles
O[C@@H]1[C@H](O)C[C@H]2C(=O)C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CCC4=O)[C@@]2(C)C1
Calculated Properties
JChem
Acid pKa
13.415968
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.71990377
LogD (pH = 7.4)
0.71990335
Log P
0.71990377
Molar Refractivity
88.0385
Polarizability
34.616066
Polar Surface Area
94.83
Rotatable Bonds
0
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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