Molecule

ID:103152

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₆N₄O₁₁P₂
Molecular Mass
488.323962
Exact Mass
488.10733093
Charge
0
InChI
InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)
InChIKey
RZZPDXZPRHQOCG-UHFFFAOYSA-N
Canonic Smiles
OC1C(COP(=O)(OP(=O)(OCC[N+](C)(C)C)[O-])O)OC(C1O)n1ccc(nc1=O)N
Isomeric Smiles
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OCC1OC(C(O)C1O)n1ccc(N)nc1=O
Calculated Properties
JChem
Acid pKa
2.1641357
H Acceptors
10
H Donor
4
LogD (pH = 5.5)
-7.1012454
LogD (pH = 7.4)
-7.4543705
Log P
-6.163281
Molar Refractivity
113.5839
Polarizability
41.386707
Polar Surface Area
213.5
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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