Molecule

ID:2337

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NO₇P
Molecular Mass
215.098461
Exact Mass
215.0194883
Charge
0
InChI
InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3-/m0/s1
InChIKey
FKHAKIJOKDGEII-HRFVKAFMSA-N
Canonic Smiles
O[C@H]([C@@H](C(=O)O)N)COP(=O)(O)O
Isomeric Smiles
N[C@@H]([C@@H](O)COP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.3137864
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-6.7333593
LogD (pH = 7.4)
-7.8329296
Log P
-3.8761642
Molar Refractivity
38.8764
Polarizability
16.213865
Polar Surface Area
150.31
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.4
LOG S
-0.98
Solubility (Water)
2.27e+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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