Molecule

ID:129428

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₇
Molecular Mass
210.18186
Exact Mass
210.07395279
Charge
0
InChI
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2/t3-,5-,6-,7-/m1/s1
InChIKey
HSNZZMHEPUFJNZ-SHUUEZRQSA-N
Canonic Smiles
OC[C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O
Isomeric Smiles
O=C([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-3.90
LogD (pH = 5.5)
-3.90
Log P
-3.90
Rotatable Bonds
6
H Donor
6
H Acceptors
7
Lipinski's Rule of Five
false
Acid pKa
12.11
Polar Surface Area
138.45
Polarizability
18.88
Molar Refractivity
43.52
LOG S
0.71
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