2′-C-Methyladenosine
C11H15N5O4
15397-12-3 Copyright (C) 2024 ACS
 20 22  0  0  1  0  0  0  0  0999 V2000
    3.8850    5.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8353    6.1315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6966    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5369    3.9148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8850    3.8550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7405    4.8856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2585    2.4482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    4.1156    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7270    2.6091    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3913    4.1752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359    3.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0178    5.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    3.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359    1.6047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5494    5.4212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    3.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8695    0.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2032    1.6047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
  8  2  1  1  0  0  0
 10  3  1  1  0  0  0
  4  5  1  0  0  0  0
 11  4  1  6  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <cas.rn>
15397-12-3

> <cas.index.name>
Adenosine, 2′-C-methyl-

> <molecular.formula>
C11H15N5O4

> <molecular.weight>
281.27

> <boiling.point.predicted>
643.448±65.00 °C    Press: 760.00 Torr

> <density.predicted>
1.891±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
13.181±0.70    Most Acidic Temp: 25 °C

$$$$
