Molecule

ID:110381

General Information
Structure
MolImage
Molecular Formula
C₂₇H₄₆O₂
Molecular Mass
402.65294
Exact Mass
402.34978071
Charge
0
InChI
InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24-27(29-24)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24+,25-,26-,27+/m1/s1
InChIKey
PRYIJAGAEJZDBO-ZEQHCUNVSA-N
Canonic Smiles
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C
Isomeric Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@]54C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
Calculated Properties
JChem
LogD (pH = 7.4)
6.37
LogD (pH = 5.5)
6.37
Log P
6.37
Rotatable Bonds
5
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
15.16
Polar Surface Area
32.76
Polarizability
51.36
Molar Refractivity
119.10
LOG S
-8.68
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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