Molecule

ID:3243

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/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6-/m0/s1
InChIKey
VFRROHXSMXFLSN-KCDKBNATSA-N
Canonic Smiles
O=C[C@@H]([C@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O
Isomeric Smiles
O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](O)C=O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.99
LogD (pH = 5.5)
-6.10
Log P
-3.69
Rotatable Bonds
7
H Donor
6
H Acceptors
8
Lipinski's Rule of Five
false
Acid pKa
1.49
Polar Surface Area
164.75
Polarizability
20.61
Molar Refractivity
48.22
LOG S
1.66
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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