Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butanoate, c...
C18H24N5O8P.1/2Ca
938448-87-4 Copyright (C) 2024 ACS
 35 37  0  0  0  0  0  0  0  0999 V2000
    5.5316    6.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2858    5.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4467    3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8789    6.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2008    3.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6119    7.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1671    8.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5008    9.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8346    8.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5008   11.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1683    9.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5020    8.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5151    8.9756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3707    7.9452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8888   10.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0370    8.7152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3572   10.2215    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5723    8.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2127   11.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    9.2697    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.7481   10.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0216    8.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    9.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6479    7.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4998    8.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660   11.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795    7.4095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8335    9.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4998   11.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8335   11.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8760    7.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8331   11.6862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2510    0.0000    0.0000 Ca  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  1  0  0  0  0
 16  1  1  6  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  1  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  1  0  0  0
 19 21  1  0  0  0  0
 19 34  1  6  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  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
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
> <cas.rn>
938448-87-4

> <cas.index.name>
Adenosine, N-(1-oxobutyl)-, cyclic 3′,5′-(hydrogen phosphate) 2′-butanoate, calcium salt (2:1)

> <molecular.formula>
C18H24N5O8P.1/2Ca

> <molecular.weight>
489.43

$$$$
