Molecule

ID:133459

General Information
Structure
MolImage
Molecular Formula
C₃₄H₅₉NO₁₄
Molecular Mass
705.83056
Exact Mass
705.39355557
Charge
0
InChI
InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)
InChIKey
UXDPXZQHTDAXOZ-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C
Isomeric Smiles
CCCCC(C)C(C(CC(C)CCCCCCC(CC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1587622
H Acceptors
13
H Donor
7
LogD (pH = 5.5)
-1.8511224
LogD (pH = 7.4)
-6.9022145
Log P
0.7195988
Molar Refractivity
174.0362
Polarizability
69.95746
Polar Surface Area
268.28
Rotatable Bonds
31
Lipinski's Rule of Five
false
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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