Molecule

ID:3548

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₅
Molecular Mass
150.1299
Exact Mass
150.05282342
Charge
0
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKey
SRBFZHDQGSBBOR-QMKXCQHVSA-N
Canonic Smiles
O[C@H]1CO[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.310624
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-2.3022048
LogD (pH = 7.4)
-2.3022575
Log P
-2.3022044
Molar Refractivity
29.9609
Polarizability
12.6405
Polar Surface Area
90.15
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.57
LOG S
0.91
Solubility (Water)
1.22e+03 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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