Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, 4-met...
C15H23N6O5S.C7H7O3S
52248-03-0 Copyright (C) 2023 ACS
 38 40  0  0  0  0  0  0  0  0999 V2000
    1.7127   19.9723    0.0000 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.7127   21.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7127   18.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1727   19.9723    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8727   19.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527   19.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   18.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227   21.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   18.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5627   21.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3327   19.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0100    4.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    9.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   10.7323    0.0000 S   0  3  3  0  0  3  0  0  0  0  0  0
    4.0011   12.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    9.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   13.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674   14.5823    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3336   15.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011   15.3523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.5823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336   16.8923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0453    7.9929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6595    4.8065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1354    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195    4.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5423    2.7156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6437    3.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0506    0.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7033    1.1840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4574    0.2787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5647    6.0525    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0889    7.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1047    6.0525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3347    8.4223    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5806    7.5171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
 36 12  1  1  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 37 14  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  1  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 38 24  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 34 25  1  6  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
M  CHG  2   4  -1  15   1
M  END
> <cas.rn>
52248-03-0

> <cas.index.name>
Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, 4-methylbenzenesulfonate (1:1)

> <molecular.formula>
C15H23N6O5S.C7H7O3S

> <molecular.weight>
570.64

$$$$
