Molecule

ID:127495

General Information
Structure
MolImage
Molecular Formula
C₃₄H₅₉NO₁₅
Molecular Mass
721.82996
Exact Mass
721.38847019
Charge
0
InChI
InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)
InChIKey
UVBUBMSSQKOIBE-UHFFFAOYSA-N
Canonic Smiles
CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C
Isomeric Smiles
O=C(O)CC(C(=O)O)CC(=O)OC(C(C)CCCC)C(OC(=O)CC(C(=O)O)CC(=O)O)CC(C)CC(O)CCCCC(O)CC(O)C(N)C
Calculated Properties
JChem
Acid pKa
3.1587784
H Acceptors
14
H Donor
8
LogD (pH = 5.5)
-3.2378411
LogD (pH = 7.4)
-8.288933
Log P
-0.66715026
Molar Refractivity
175.7057
Polarizability
70.63428
Polar Surface Area
288.51
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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