Molecule

ID:2972

General Information
Structure
Molecular Formula
C₂₄H₄₆O₁₁
Molecular Mass
510.61544
Exact Mass
510.30401229
Charge
0
InChI
InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16+,17-,18+,19+,20-,21+,22+,23+,24+/m0/s1
InChIKey
NLEBIOOXCVAHBD-DAMKUWBJSA-N
Canonic Smiles
CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](CO)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric Smiles
CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.939976
H Acceptors
11
H Donor
7
LogD (pH = 5.5)
0.8201998
LogD (pH = 7.4)
0.82018745
Log P
0.82019997
Molar Refractivity
123.7695
Polarizability
50.784866
Polar Surface Area
178.53
Rotatable Bonds
16
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
1.43
LOG S
-2.35
Solubility (Water)
2.28e+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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