Molecule

ID:4223

General Information
Structure
Molecular Formula
C₆H₁₁O₁₀P
Molecular Mass
274.119301
Exact Mass
274.00898318
Charge
0
InChI
InChI=1S/C6H11O10P/c7-3-2(1-15-17(12,13)14)16-6(11,4(3)8)5(9)10/h2-4,7-8,11H,1H2,(H,9,10)(H2,12,13,14)/t2-,3-,4-,6-/m1/s1
InChIKey
LXQWHMQOSMCJIZ-ZGEUXELVSA-N
Canonic Smiles
O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@]([C@@H]1O)(O)C(=O)O
Isomeric Smiles
O[C@@H]1[C@@H](COP(=O)(O)O)O[C@](O)([C@@H]1O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2070235
H Acceptors
9
H Donor
6
LogD (pH = 5.5)
-7.4702625
LogD (pH = 7.4)
-9.359013
Log P
-2.4091015
Molar Refractivity
47.1762
Polarizability
19.877356
Polar Surface Area
173.98
Rotatable Bonds
4
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
-2.07
LOG S
-1.02
Solubility (Water)
2.64e+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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