Molecule

ID:1760

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₂O₇P
Molecular Mass
320.235641
Exact Mass
320.07733752
Charge
0
InChI
InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
InChIKey
WACJCHFWJNNBPR-SSDOTTSWSA-N
Canonic Smiles
OC(=O)[C@H](NCc1c(cnc(c1O)C)COP(=O)(O)O)C
Isomeric Smiles
C[C@@H](NCc1c(O)c(C)ncc1COP(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.19
LogD (pH = 5.5)
-4.88
Log P
-2.97
Rotatable Bonds
7
H Donor
5
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
1.63
Polar Surface Area
149.21
Polarizability
28.99
Molar Refractivity
71.99
LOG S
1.06
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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