Molecule

ID:132394

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₄O₁₇
Molecular Mass
522.45236
Exact Mass
522.17959963
Charge
0
InChI
InChI=1S/C12H22O11.C6H12O6/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12;7-1-3-4(9)5(10)6(11,2-8)12-3/h4-11,13-20H,1-3H2;3-5,7-11H,1-2H2/t4-,5-,6-,7-,8+,9-,10+,11?,12+;3-,4-,5+,6-/m11/s1
InChIKey
TUULCWHRUVPVEB-UGWHTDGHSA-N
Canonic Smiles
OC[C@H]1O[C@@]([C@H]([C@@H]1O)O)(CO)OC1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O.OC[C@H]1O[C@]([C@H]([C@@H]1O)O)(O)CO
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)O)CO)O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
Calculated Properties
JChem
Acid pKa
11.84128
H Acceptors
11
H Donor
8
LogD (pH = 5.5)
-4.5288353
LogD (pH = 7.4)
-4.5288506
Log P
-4.528835
Molar Refractivity
68.7741
Polarizability
28.969793
Polar Surface Area
189.53
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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