Molecule

ID:1627

General Information
Structure
MolImage
Molecular Formula
C₄H₈NO₇P
Molecular Mass
213.082581
Exact Mass
213.00383823
Charge
0
InChI
InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1
InChIKey
IXZNKTPIYKDIGG-REOHCLBHSA-N
Canonic Smiles
O=C(OP(=O)(O)O)C[C@@H](C(=O)O)N
Isomeric Smiles
N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.55
LogD (pH = 5.5)
-5.99
Log P
-3.13
Rotatable Bonds
5
H Donor
4
H Acceptors
7
Lipinski's Rule of Five
true
Acid pKa
1.18
Polar Surface Area
147.15
Polarizability
15.64
Molar Refractivity
37.69
LOG S
0.94
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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