Molecule

ID:2494

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄O₁₁P₂
Molecular Mass
324.116282
Exact Mass
324.00113453
Charge
0
InChI
InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m0/s1
InChIKey
WSMBXSQDFPTODV-BXKVDMCESA-N
Canonic Smiles
O[C@H]1[C@H](COP(=O)(O)O)O[C@H]([C@@H]1O)COP(=O)(O)O
Isomeric Smiles
O[C@@H]1[C@@H](O)[C@H](COP(=O)(O)O)O[C@H]1COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
0.92905384
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-7.697015
LogD (pH = 7.4)
-9.867063
Log P
-2.8154473
Molar Refractivity
56.6393
Polarizability
23.718092
Polar Surface Area
183.21
Rotatable Bonds
6
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-1.53
LOG S
-1.31
Solubility (Water)
1.60e+01 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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