InChI: |
1S/C21H30N7O17P3.4Na.4H2O/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;;4*1H2/q;4*+1;;;;/p-4/t10-,11-,13-,14-,15-,16-,20-,21-;;;;;;;;/m1......../s1 |
InChIKey: |
MJMNMZORBRTNGP-NFOLICFBSA-J |
|
H donor: |
9 |
H acceptor: |
28 |
Rotatable bond: |
13 |
Stereocenter: |
10 |
|
cLogP: |
-10.503 |
cLogS: |
0.946 |
Polar surface: |
441.82 |
|