Molecule

ID:89712

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₅NO₁₆
Molecular Mass
545.489
Exact Mass
545.19558405
Charge
0
InChI
InChI=1S/C20H35NO16/c1-5(24)21-9-12(27)17(37-20-16(31)14(29)10(25)6(2-22)35-20)7(3-23)36-19(9)33-4-8-11(26)13(28)15(30)18(32)34-8/h6-20,22-23,25-32H,2-4H2,1H3,(H,21,24)/t6-,7-,8-,9-,10+,11+,12-,13+,14+,15-,16-,17-,18?,19-,20+/m1/s1
InChIKey
VZIJAGXHAXHZJU-MRGJSYKYSA-N
Canonic Smiles
OC[C@H]1O[C@@H](OC[C@H]2OC(O)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O)NC(=O)C
Isomeric Smiles
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.76
LogD (pH = 5.5)
-6.76
Log P
-6.76
Rotatable Bonds
8
H Donor
11
H Acceptors
16
Lipinski's Rule of Five
false
Acid pKa
11.20
Polar Surface Area
277.55
Polarizability
51.91
Molar Refractivity
111.85
LOG S
0.30
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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