Molecule

ID:74450

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₆
Molecular Mass
178.14
Exact Mass
178.04773804
Charge
0
InChI
InChI=1S/C6H10O6/c1-11-5(9)3(7)4(8)6(10)12-2/h3-4,7-8H,1-2H3/t3-,4+
InChIKey
PVRATXCXJDHJJN-ZXZARUISSA-N
Canonic Smiles
COC(=O)[C@H]([C@H](C(=O)OC)O)O
Isomeric Smiles
O(C(=O)[C@@H]([C@@H](C(=O)OC)O)O)C
Calculated Properties
JChem
Acid pKa
11.18821
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5370127
LogD (pH = 7.4)
-1.5370824
Log P
-1.5370117
Molar Refractivity
35.7516
Polarizability
14.854973
Polar Surface Area
93.06
Rotatable Bonds
5
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
暂无数据
点击上传数据
References
Bioactivity
Navigation