Puromycin
C22H29N7O5
53-79-2 Copyright (C) 2024 ACS
 34 37  0  0  1  0  0  0  0  0999 V2000
    8.5779    6.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    2.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848    4.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6386    4.8384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9724    4.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3061    4.8384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9724    2.5284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6397    4.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3061    6.3785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2884    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9745    7.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3082    6.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360    3.7113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3055    2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5660    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8986    3.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4665    1.0354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0597    4.7248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6527    2.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8136    0.7565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8675    3.5504    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8981    4.6948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6375    2.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3049    4.0684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1440    2.5369    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9734    4.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9734    6.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3072    4.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3072    7.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6408    4.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6408    6.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  5  6  1  0  0  0  0
 27  5  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  1  0  0  0
  9 29  1  0  0  0  0
 11 12  1  0  0  0  0
 28 11  1  1  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 24 15  1  1  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <cas.rn>
53-79-2

> <cas.index.name>
Adenosine, 3′-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-

> <molecular.formula>
C22H29N7O5

> <molecular.weight>
471.51

> <melting.point.experimental>
175.5-177 °C

> <density.predicted>
1.513±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.001±0.70    Most Acidic Temp: 25 °C

$$$$
