Molecule

ID:88688

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₉
Molecular Mass
337.32302
Exact Mass
337.13728132
Charge
0
InChI
InChI=1S/C13H23NO9/c1-6(16)14-9-7(17)4-13(22-3,12(20)21-2)23-11(9)10(19)8(18)5-15/h7-11,15,17-19H,4-5H2,1-3H3,(H,14,16)/t7-,8-,9-,10+,11?,13+/m0/s1
InChIKey
JKTJXQQVMKZKQA-PJGPLBPJSA-N
Canonic Smiles
OC[C@@H]([C@H](C1O[C@](OC)(C[C@@H]([C@@H]1NC(=O)C)O)C(=O)OC)O)O
Isomeric Smiles
O1C([C@H]([C@H](C[C@@]1(C(=O)OC)OC)O)NC(=O)C)[C@@H]([C@@H](O)CO)O
Calculated Properties
JChem
Acid pKa
12.620022
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-2.7749176
LogD (pH = 7.4)
-2.7749195
Log P
-2.774917
Molar Refractivity
73.3017
Polarizability
30.149857
Polar Surface Area
154.78
Rotatable Bonds
7
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