Molecule

ID:108078

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₉P
Molecular Mass
260.135781
Exact Mass
260.02971863
Charge
0
InChI
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
InChIKey
NBSCHQHZLSJFNQ-RWOPYEJCSA-N
Canonic Smiles
O[C@@H]1O[C@H](COP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)O)O
Isomeric Smiles
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.59
LogD (pH = 5.5)
-5.50
Log P
-3.06
Rotatable Bonds
3
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
1.22
Polar Surface Area
156.91
Polarizability
20.89
Molar Refractivity
46.80
LOG S
1.03
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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