Molecule
ID:75005
General Information
Molecular Formula
C₁₁H₂₅NO₁₀P₂
Molecular Mass
393.264422
Exact Mass
393.09536927
Charge
0
InChI
InChI=1S/C9H23NO6P2.C2H2O4/c1-5-13-17(11,14-6-2)9(10)18(12,15-7-3)16-8-4;3-1(4)2(5)6/h9H,5-8,10H2,1-4H3;(H,3,4)(H,5,6)
InChIKey
PCNHBKSOKHWJSR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.CCOP(=O)(C(P(=O)(OCC)OCC)N)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)C(N)P(=O)(OCC)OCC.OC(=O)C(=O)O
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15914969
LogD (pH = 7.4)
1.3037285
Log P
1.5026809
Molar Refractivity
68.304
Polarizability
28.367186
Polar Surface Area
97.08
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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