Molecule

ID:128141

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀NO₅P
Molecular Mass
277.253961
Exact Mass
277.10790938
Charge
0
InChI
InChI=1S/C11H20NO5P/c13-11(14)10-4-9-3-7(6-18(15,16)17)1-2-8(9)5-12-10/h7-10,12H,1-6H2,(H,13,14)(H2,15,16,17)/t7-,8-,9+,10-/m0/s1
InChIKey
STIRHCNEGQQBOY-QEYWKRMJSA-N
Canonic Smiles
OC(=O)[C@H]1NC[C@H]2[C@@H](C1)C[C@H](CC2)CP(=O)(O)O
Isomeric Smiles
[C@@H]12[C@@H](CC[C@H](CP(=O)(O)O)C1)CN[C@H](C(=O)O)C2
Calculated Properties
JChem
Acid pKa
1.5508307
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.918233
LogD (pH = 7.4)
-5.3658442
Log P
-2.1615174
Molar Refractivity
64.5261
Polarizability
25.914358
Polar Surface Area
106.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation