Molecule

ID:1928

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅O₉P
Molecular Mass
262.151661
Exact Mass
262.04536869
Charge
0
InChI
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6+/m1/s1
InChIKey
GACTWZZMVMUKNG-ZXXMMSQZSA-N
Canonic Smiles
OC[C@H]([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O
Isomeric Smiles
OC[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.4919441
H Acceptors
8
H Donor
7
LogD (pH = 5.5)
-6.259634
LogD (pH = 7.4)
-7.1519256
Log P
-3.8535848
Molar Refractivity
49.2765
Polarizability
20.401186
Polar Surface Area
167.91
Rotatable Bonds
7
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.32
LOG S
-0.99
Solubility (Water)
2.66e+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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