Molecule

ID:128012

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₁₆
Molecular Mass
504.43708
Exact Mass
504.16903494
Charge
0
InChI
InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
InChIKey
DBTMGCOVALSLOR-VPNXCSTESA-N
Canonic Smiles
OC[C@H]1OC(O[C@@H]2[C@@H](O)C(O)O[C@@H]([C@H]2O)CO)[C@@H]([C@H]([C@@H]1O)OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O
Isomeric Smiles
O([C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO)C1O[C@@H]([C@@H](O)[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)CO
Calculated Properties
JChem
Acid pKa
11.214868
H Acceptors
16
H Donor
11
LogD (pH = 5.5)
-6.474211
LogD (pH = 7.4)
-6.474277
Log P
-6.4742107
Molar Refractivity
100.75
Polarizability
42.784054
Polar Surface Area
268.68
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation