Molecule

ID:128581

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₈
Molecular Mass
267.23318
Exact Mass
267.09541651
Charge
0
InChI
InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1
InChIKey
CERZMXAJYMMUDR-YOQZMRDMSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H]1O[C@@](O)(C[C@@H]([C@H]1N)O)C(=O)O)O)O
Isomeric Smiles
O=C(O)[C@@]1(O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](N)[C@@H](O)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-5.72
LogD (pH = 5.5)
-5.65
Log P
-5.65
Rotatable Bonds
4
H Donor
7
H Acceptors
9
Lipinski's Rule of Five
false
Acid pKa
2.72
Polar Surface Area
173.70
Polarizability
24.21
Molar Refractivity
54.34
LOG S
0.20
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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