Molecule

ID:87930

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₇
Molecular Mass
263.24448
Exact Mass
263.10050189
Charge
0
InChI
InChI=1S/C10H17NO7/c1-5(14)11-7(3-12)10(18-6(2)15)9(17)8(16)4-13/h3,7-10,13,16-17H,4H2,1-2H3,(H,11,14)/t7-,8-,9+,10+/m0/s1
InChIKey
UYTJOJMXRBQBKF-AXTSPUMRSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@@H]([C@H](CO)O)O)OC(=O)C)NC(=O)C
Isomeric Smiles
OC[C@@H]([C@H]([C@@H]([C@H](C=O)NC(=O)C)OC(=O)C)O)O
Calculated Properties
JChem
Acid pKa
11.4206505
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-3.415271
LogD (pH = 7.4)
-3.4153109
Log P
-3.4152703
Molar Refractivity
57.5984
Polarizability
23.350677
Polar Surface Area
133.16
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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