Molecule

ID:5449

General Information
Structure
Molecular Formula
C₁₉H₂₄O₅
Molecular Mass
332.39086
Exact Mass
332.16237387
Charge
0
InChI
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1
InChIKey
RSQSQJNRHICNNH-NFMPGMCNSA-N
Canonic Smiles
C=C1C[C@@]23C[C@@H]1CC[C@H]3[C@@]13[C@H]([C@@H]2C(=O)O)[C@@](C)([C@H](CC1)O)C(=O)O3
Isomeric Smiles
C1C[C@H](O)[C@@]2([C@H]3[C@H](C(=O)O)[C@]45[C@H]([C@]13OC2=O)CC[C@@H](C4)C(=C)C5)C
Calculated Properties
JChem
Acid pKa
4.288334
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.32484943
LogD (pH = 7.4)
-1.4111365
Log P
1.5603198
Molar Refractivity
84.0788
Polarizability
33.795246
Polar Surface Area
83.83
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.38
LOG S
-2.44
Solubility (Water)
1.19e+00 g/l
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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