Molecule
ID:119007
General Information
Molecular Formula
C₂₀H₃₂O₅
Molecular Mass
352.46508
Exact Mass
352.22497412
Charge
0
InChI
InChI=1S/C20H32O5/c1-13-4-5-14-17(2,11-21)15(22)6-7-18(14,3)20(13)9-8-19(25-20)10-16(23)24-12-19/h13-15,21-22H,4-12H2,1-3H3/t13-,14?,15+,17+,18+,19?,20-/m1/s1
InChIKey
XCEIXRWKIFQZDC-GNQMFGHGSA-N
Canonic Smiles
OC[C@]1(C)[C@@H](O)CC[C@]2(C1CC[C@H]([C@@]12CCC2(O1)COC(=O)C2)C)C
Isomeric Smiles
[C@]12([C@]3(OC4(CC(=O)OC4)CC3)[C@@H](CCC1[C@@]([C@H](CC2)O)(CO)C)C)C
Calculated Properties
JChem
Acid pKa
14.485736
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8221481
LogD (pH = 7.4)
1.8221481
Log P
1.8221481
Molar Refractivity
92.2048
Polarizability
37.37917
Polar Surface Area
75.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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