Molecule

ID:127483

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃O₉P
Molecular Mass
260.135781
Exact Mass
260.02971863
Charge
0
InChI
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1
InChIKey
ZKLLSNQJRLJIGT-UYFOZJQFSA-N
Canonic Smiles
OC[C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O
Isomeric Smiles
O=P(O)(O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-6.96
LogD (pH = 5.5)
-5.84
Log P
-3.39
Rotatable Bonds
7
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
1.18
Polar Surface Area
164.75
Polarizability
20.85
Molar Refractivity
48.43
LOG S
1.47
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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