Adenosine 5′-(tetrahydrogen triphosphate), sodium salt, hydrate (1:2:3)
C10H16N5O13P3.3H2O.2Na
51963-61-2 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  33 33 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 6.4885 3.0800 0.0 0
M  V30 2 N 0.0000 7.8195 0.0 0
M  V30 3 C 10.1159 7.1087 0.0 0
M  V30 4 O 11.4497 6.3387 0.0 0
M  V30 5 P 12.7834 7.1087 0.0 0 VAL=5
M  V30 6 O 14.1170 7.8787 0.0 0
M  V30 7 O 13.5534 5.7751 0.0 0
M  V30 8 O 12.0133 8.4424 0.0 0
M  V30 9 P 15.4507 7.1087 0.0 0 VAL=5
M  V30 10 O 16.7845 6.3387 0.0 0
M  V30 11 O 14.6807 5.7751 0.0 0
M  V30 12 O 16.2207 8.4424 0.0 0
M  V30 13 P 18.1182 7.1087 0.0 0 VAL=5
M  V30 14 O 19.4519 7.8787 0.0 0
M  V30 15 O 17.3482 8.4424 0.0 0
M  V30 16 O 18.8882 5.7751 0.0 0
M  V30 17 O 9.7657 3.7767 0.0 0
M  V30 18 N 4.8132 5.9816 0.0 0
M  V30 19 C 4.0432 7.3154 0.0 0
M  V30 20 C 3.7828 4.8372 0.0 0
M  V30 21 C 2.5369 6.9952 0.0 0
M  V30 22 N 4.5191 8.7800 0.0 0
M  V30 23 N 2.3758 5.4635 0.0 0
M  V30 24 C 1.5063 8.1396 0.0 0
M  V30 25 C 3.4886 9.9245 0.0 0
M  V30 26 N 1.9823 9.6044 0.0 0
M  V30 27 C 6.3448 5.8206 0.0 0 CFG=1
M  V30 28 O 7.3754 6.9652 0.0 0
M  V30 29 C 7.1148 4.4870 0.0 0 CFG=2
M  V30 30 C 8.7822 6.3387 0.0 0 CFG=2
M  V30 31 C 8.6213 4.8071 0.0 0 CFG=2
M  V30 32 Na 9.7259 1.5400 0.0 0 VAL=-1
M  V30 33 O 9.7259 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 29 1 CFG=1
M  V30 2 1 2 24
M  V30 3 1 3 4
M  V30 4 1 30 3 CFG=3
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 2 5 7
M  V30 8 1 5 8
M  V30 9 1 6 9
M  V30 10 1 9 10
M  V30 11 2 9 11
M  V30 12 1 9 12
M  V30 13 1 10 13
M  V30 14 2 13 14
M  V30 15 1 13 15
M  V30 16 1 13 16
M  V30 17 1 31 17 CFG=1
M  V30 18 1 18 19
M  V30 19 1 18 20
M  V30 20 1 27 18 CFG=3
M  V30 21 1 19 21
M  V30 22 2 19 22
M  V30 23 2 20 23
M  V30 24 1 21 23
M  V30 25 2 21 24
M  V30 26 1 22 25
M  V30 27 1 24 26
M  V30 28 2 25 26
M  V30 29 1 27 28
M  V30 30 1 27 29
M  V30 31 1 28 30
M  V30 32 1 29 31
M  V30 33 1 30 31
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(4 27 29 30 31)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
51963-61-2

> <cas.index.name>
Adenosine 5′-(tetrahydrogen triphosphate), sodium salt, hydrate (1:2:3)

> <molecular.formula>
C10H16N5O13P3.3H2O.2Na

> <molecular.weight>
607.21

$$$$
