Molecule

ID:3945

General Information
Structure
Molecular Formula
C₅H₁₀O₅
Molecular Mass
150.1299
Exact Mass
150.05282342
Charge
0
InChI
InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m1/s1
InChIKey
BVIYGXUQVXBHQS-DMTCNVIQSA-N
Canonic Smiles
O[C@@H]1CO[C@](C1(O)O)(C)O
Isomeric Smiles
C[C@]1(O)OC[C@@H](O)C1(O)O
Calculated Properties
JChem
Acid pKa
9.158564
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.6135858
LogD (pH = 7.4)
-1.6209925
Log P
-1.6134907
Molar Refractivity
30.4875
Polarizability
12.6405
Polar Surface Area
90.15
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.96
LOG S
0.71
Solubility (Water)
7.66e+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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