Molecule

ID:74896

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈NO₇P
Molecular Mass
271.204781
Exact Mass
271.08208855
Charge
0
InChI
InChI=1S/C6H16NO3P.C2H2O4/c1-3-9-11(8,6-5-7)10-4-2;3-1(4)2(5)6/h3-7H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
YWTBOEJNYKHJGI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CCN.OC(=O)C(=O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4662821
LogD (pH = 7.4)
-3.218643
Log P
-0.25777593
Molar Refractivity
43.7134
Polarizability
18.032587
Polar Surface Area
61.55
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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