Molecule

ID:128811

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₈
Molecular Mass
281.25976
Exact Mass
281.11106657
Charge
0
InChI
InChI=1S/C10H19NO8/c1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18/h5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18)/t5-,7-,8+,9-/m1/s1
InChIKey
ZQTHOIGMSJMBLM-BUJSFMDZSA-N
Canonic Smiles
O[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)COC(=O)CN(C)C
Isomeric Smiles
OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)CN(C)C
Calculated Properties
JChem
Acid pKa
2.9789648
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-5.783672
LogD (pH = 7.4)
-6.3505683
Log P
-5.765952
Molar Refractivity
60.8515
Polarizability
24.77577
Polar Surface Area
147.76
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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