Molecule

ID:119253

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₅
Molecular Mass
148.11402
Exact Mass
148.03717336
Charge
0
InChI
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4-/m1/s1
InChIKey
CUOKHACJLGPRHD-BXXZVTAOSA-N
Canonic Smiles
OC[C@H]1OC(=O)[C@@H]([C@@H]1O)O
Isomeric Smiles
C1(=O)[C@@H]([C@@H]([C@H](O1)CO)O)O
Calculated Properties
JChem
Acid pKa
11.633838
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.1149385
LogD (pH = 7.4)
-2.1149635
Log P
-2.1149383
Molar Refractivity
28.8163
Polarizability
12.117866
Polar Surface Area
86.99
Rotatable Bonds
1
Lipinski's Rule of Five
true
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