3′-[[(2S)-2-Amino-1-oxo-3-[4-(2-propyn-1-yloxy)phenyl]propyl]amino]-3′-deoxy-...
C24H29N7O5
1416561-90-4 Copyright (C) 2024 ACS
 36 39  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
    1.2460    2.9145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0849    4.4461    0.0000 C   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
   11.6387    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
   14.3062    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
   15.6399    4.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3062    6.3785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2885    1.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9684    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1416561-90-4

> <cas.index.name>
Adenosine, 3′-[[(2S)-2-amino-1-oxo-3-[4-(2-propyn-1-yloxy)phenyl]propyl]amino]-3′-deoxy-N,N-dimethyl-

> <molecular.formula>
C24H29N7O5

> <molecular.weight>
495.53

> <density.predicted>
1.441±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

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

$$$$
