Molecule

ID:128209

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈O₁₁
Molecular Mass
422.33962
Exact Mass
422.0849114
Charge
0
InChI
InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
InChIKey
AEDDIBAIWPIIBD-ZJKJAXBQSA-N
Canonic Smiles
OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)O
Isomeric Smiles
c1c2c(cc(c1O)O)oc1cc(c(c(c1c2=O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Calculated Properties
JChem
Acid pKa
6.977352
H Acceptors
10
H Donor
8
LogD (pH = 5.5)
-0.37615713
LogD (pH = 7.4)
-1.0636606
Log P
-0.36194196
Molar Refractivity
97.8582
Polarizability
38.200047
Polar Surface Area
197.37
Rotatable Bonds
2
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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Product Information
Empirical Formula (Hill Notation)
C19H18O11
Purity
≥98.0% (TLC)
Grade
analytical standard
Shelf Life
(limited shelf life, expiry date on the label)
Physical Property
Apperance
Yellow powder