Molecule

ID:72926

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆O₉
Molecular Mass
328.27144
Exact Mass
328.07943209
Charge
0
InChI
InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1
InChIKey
YWJXCIXBAKGUKZ-HJJNZUOJSA-N
Canonic Smiles
OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC
Isomeric Smiles
[C@H]1([C@H]([C@@H]([C@@H]2[C@@H](O1)c1c(C(=O)O2)cc(c(c1O)OC)O)O)O)CO
Calculated Properties
JChem
Acid pKa
8.622673
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-1.2271476
LogD (pH = 7.4)
-1.2519192
Log P
-1.226823
Molar Refractivity
73.3653
Polarizability
29.092525
Polar Surface Area
145.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
Navigation
Safety Information
Storage Condition
-20°C
Product Information
Salt Data
Free Base
Classification
Genuine Natural Compounds
Physical Property
Powder