Molecule

ID:2209

General Information
Structure
Molecular Formula
C₁₄H₂₆N₂O₈
Molecular Mass
350.36484
Exact Mass
350.1689158
Charge
0
InChI
InChI=1S/C14H26N2O8/c1-23-14(22)15-6-4-2-3-5-9(18)16-13-12(21)11(20)10(19)8(7-17)24-13/h8,10-13,17,19-21H,2-7H2,1H3,(H,15,22)(H,16,18)/t8-,10-,11+,12-,13-/m0/s1
InChIKey
YTYAKGJMNHDUDF-UPXOXWNWSA-N
Canonic Smiles
OC[C@@H]1O[C@H](NC(=O)CCCCCNC(=O)OC)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
COC(=O)NCCCCCC(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
11.479598
H Acceptors
7
H Donor
6
LogD (pH = 5.5)
-2.291756
LogD (pH = 7.4)
-2.2917876
Log P
-2.2917552
Molar Refractivity
80.1082
Polarizability
32.361702
Polar Surface Area
157.58
Rotatable Bonds
9
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-1.64
LOG S
-1.11
Solubility (Water)
2.74e+01 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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