Molecule

ID:4394

General Information
Structure
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Molecular Formula
C₁₀H₂₁NO₇
Molecular Mass
267.27624
Exact Mass
267.13180202
Charge
0
InChI
InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1
InChIKey
FZNCGRZWXLXZSZ-CIQUZCHMSA-N
Canonic Smiles
OCC(N[C@H]1C[C@](O)(CO)[C@H]([C@@H]([C@H]1O)O)O)CO
Isomeric Smiles
O[C@@]1(C[C@H](NC(CO)CO)[C@H](O)[C@@H](O)[C@@H]1O)CO
Calculated Properties
JChem
Acid pKa
12.455839
H Acceptors
8
H Donor
8
LogD (pH = 5.5)
-6.9796877
LogD (pH = 7.4)
-5.301458
Log P
-4.8527865
Molar Refractivity
59.5467
Polarizability
24.53386
Polar Surface Area
153.64
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.34
LOG S
-0.15
Solubility (Water)
1.90e+02 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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