Molecule

ID:2983

General Information
Structure
Molecular Formula
C₃H₈NO₅P
Molecular Mass
169.073081
Exact Mass
169.01400899
Charge
0
InChI
InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey
LBTABPSJONFLPO-REOHCLBHSA-N
Canonic Smiles
OC(=O)[C@H](CP(=O)(O)O)N
Isomeric Smiles
N[C@@H](CP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.396297
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-6.630927
LogD (pH = 7.4)
-7.2072453
Log P
-3.8259072
Molar Refractivity
31.0815
Polarizability
12.89791
Polar Surface Area
120.85
Rotatable Bonds
3
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.49
LOG S
-0.69
Solubility (Water)
3.47e+01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
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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