Molecule

ID:2216

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NO₆P
Molecular Mass
199.099061
Exact Mass
199.02457368
Charge
0
InChI
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1
InChIKey
USRGIUJOYOXOQJ-STHAYSLISA-N
Canonic Smiles
OC(=O)[C@@H]([C@@H](OP(=O)(O)O)C)N
Isomeric Smiles
C[C@H](OP(=O)(O)O)[C@@H](N)C(=O)O
Calculated Properties
JChem
Acid pKa
1.2107285
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-5.609686
LogD (pH = 7.4)
-6.9265065
Log P
-2.7024999
Molar Refractivity
37.3327
Polarizability
15.472433
Polar Surface Area
130.08
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.86
LOG S
-0.93
Solubility (Water)
2.35e+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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