Molecule

ID:3160

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄NO₆P
Molecular Mass
215.141521
Exact Mass
215.0558738
Charge
0
InChI
InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1
InChIKey
JZNWSCPGTDBMEW-YFKPBYRVSA-N
Canonic Smiles
NCCO[P@@](=O)(OC[C@H](CO)O)O
Isomeric Smiles
NCCO[P@](=O)(O)OC[C@@H](O)CO
Calculated Properties
JChem
Acid pKa
1.8690883
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-3.3912327
LogD (pH = 7.4)
-3.3921635
Log P
-3.3911924
Molar Refractivity
43.8211
Polarizability
18.155298
Polar Surface Area
122.24
Rotatable Bonds
7
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.31
LOG S
-0.77
Solubility (Water)
3.65e+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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