Molecule

ID:119474

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3?,4+,5-/m1/s1
InChIKey
PHOQVHQSTUBQQK-GTRNTEOOSA-N
Canonic Smiles
OC[C@H]1OC(=O)[C@@H]([C@H](C1O)O)O
Isomeric Smiles
C1(=O)[C@@H]([C@H](C([C@H](O1)CO)O)O)O
Calculated Properties
JChem
Acid pKa
11.618472
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.7452736
LogD (pH = 7.4)
-2.7452993
Log P
-2.745273
Molar Refractivity
34.7788
Polarizability
14.633189
Polar Surface Area
107.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
暂无数据
点击上传数据
References
Bioactivity
Navigation