Molecule

ID:132496

General Information
Structure
Molecular Formula
C₃₃H₇₃N₅O₁₀P₂
Molecular Mass
761.907742
Exact Mass
761.48326682
Charge
0
InChI
InChI=1S/5C6H13N.C3H8O10P2/c5*7-6-4-2-1-3-5-6;4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h5*6H,1-5,7H2;2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t;;;;;2-/m.....1/s1
InChIKey
WMBJYTVZNODJKS-SPUYNGLASA-N
Canonic Smiles
OC(=O)[C@H](OP(=O)(O)O)COP(=O)(O)O.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1.NC1CCCCC1
Isomeric Smiles
C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N.C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
0.4809322
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-8.739837
LogD (pH = 7.4)
-12.565099
Log P
-1.7658715
Molar Refractivity
42.1293
Polarizability
17.66306
Polar Surface Area
170.82
Rotatable Bonds
6
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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