Molecule

ID:131115

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈N₂O₁₅
Molecular Mass
570.54152
Exact Mass
570.22721853
Charge
0
InChI
InChI=1S/C22H38N2O15/c1-6-13(28)17(32)18(33)22(36-6)35-5-10-19(16(31)11(20(34)37-10)23-7(2)26)39-21-12(24-8(3)27)15(30)14(29)9(4-25)38-21/h6,9-22,25,28-34H,4-5H2,1-3H3,(H,23,26)(H,24,27)
InChIKey
YBYSAIOYCWNLAP-UHFFFAOYSA-N
Canonic Smiles
OCC1OC(OC2C(COC3OC(C)C(C(C3O)O)O)OC(C(C2O)NC(=O)C)O)C(C(C1O)O)NC(=O)C
Isomeric Smiles
CC1C(C(C(C(O1)OCC1C(C(C(C(O1)O)NC(=O)C)O)OC1C(C(C(C(O1)CO)O)O)NC(=O)C)O)O)O
Calculated Properties
JChem
Acid pKa
11.386919
H Acceptors
15
H Donor
10
LogD (pH = 5.5)
-6.0033712
LogD (pH = 7.4)
-6.0034137
Log P
-6.003371
Molar Refractivity
121.4089
Polarizability
50.562634
Polar Surface Area
266.19
Rotatable Bonds
8
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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