Molecule

ID:132370

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇N₆O₁₁P
Molecular Mass
606.478541
Exact Mass
606.14754234
Charge
0
InChI
InChI=1S/C24H27N6O11P/c1-36-24(33)14(25)8-12-2-4-13(5-3-12)38-16(31)6-7-17(32)40-20-19-15(9-37-42(34,35)41-19)39-23(20)30-11-29-18-21(26)27-10-28-22(18)30/h2-5,10-11,14-15,19-20,23H,6-9,25H2,1H3,(H,34,35)(H2,26,27,28)
InChIKey
VCGXASLRSBTMRC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)OC(=O)CCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2N)N
Isomeric Smiles
COC(=O)C(Cc1ccc(cc1)OC(=O)CCC(=O)OC1C2C(COP(=O)(O2)O)OC1n1cnc2c1ncnc2N)N
Calculated Properties
JChem
Acid pKa
1.8321109
H Acceptors
11
H Donor
3
LogD (pH = 5.5)
-1.1377711
LogD (pH = 7.4)
-1.5286317
Log P
-1.0898949
Molar Refractivity
138.7084
Polarizability
55.411976
Polar Surface Area
239.53
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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