Molecule

ID:129689

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₄N₃O₁₀P
Molecular Mass
543.503921
Exact Mass
543.19818093
Charge
0
InChI
InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18+,19+,20+,23-/m0/s1
InChIKey
ZPHBZEQOLSRPAK-XVOJFHBISA-N
Canonic Smiles
CC(C[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NP(=O)(O[C@@H]1O[C@@H](C)[C@H]([C@H]([C@H]1O)O)O)O)C
Isomeric Smiles
O=C(O)[C@@H](NC(=O)[C@H](CC(C)C)NP(=O)(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)O)Cc1c[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
2.48479
H Acceptors
9
H Donor
8
LogD (pH = 5.5)
-3.6547024
LogD (pH = 7.4)
-5.3870897
Log P
0.15903191
Molar Refractivity
128.9397
Polarizability
52.45724
Polar Surface Area
210.67
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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