Molecule

ID:3370

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₇
Molecular Mass
263.24448
Exact Mass
263.10050189
Charge
0
InChI
InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5+,6-,7+,8+,10-/m0/s1
InChIKey
BHZMHPRIYUPDCT-SANCVPIZSA-N
Canonic Smiles
O[C@H]1C(=O)NCC[C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@H]1CO[C@@H](O[C@@H]2CCNC(=O)[C@@H]2O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.908309
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-3.294305
LogD (pH = 7.4)
-3.2943182
Log P
-3.2943048
Molar Refractivity
56.1198
Polarizability
23.090034
Polar Surface Area
128.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.63
LOG S
0.12
Solubility (Water)
3.45e+02 g/l
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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