Molecule

ID:88689

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₈
Molecular Mass
281.25976
Exact Mass
281.11106657
Charge
0
InChI
InChI=1S/C10H19NO8/c1-18-10(9(16)17)2-4(13)6(11)8(19-10)7(15)5(14)3-12/h4-8,12-15H,2-3,11H2,1H3,(H,16,17)/t4-,5-,6+,7+,8?,10-/m0/s1
InChIKey
OMVQZDUAKZZNEF-RXQLJYJZSA-N
Canonic Smiles
OC[C@@H]([C@H](C1O[C@@](OC)(C[C@@H]([C@H]1N)O)C(=O)O)O)O
Isomeric Smiles
O1[C@@](C[C@H](O)[C@H](C1[C@H](O)[C@@H](O)CO)N)(C(=O)O)OC
Calculated Properties
JChem
Acid pKa
2.8035867
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-5.0031896
LogD (pH = 7.4)
-5.0301113
Log P
-5.003483
Molar Refractivity
59.0888
Polarizability
24.678326
Polar Surface Area
162.7
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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