Sodium adenosine 5′-(trihydrogen diphosphate) 2′-(dihydrogen phosphate) P′→5′...
C21H30N7O17P3.4Na
2646-71-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  49 52 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 2.0333 9.5289 0.0 0
M  V30 2 P 1.4068 10.9359 0.0 0 VAL=5
M  V30 3 O 0.7805 12.3427 0.0 0
M  V30 4 O 2.8138 11.5622 0.0 0
M  V30 5 O 0.0000 10.3094 0.0 0
M  V30 6 O 4.2751 12.0189 0.0 0
M  V30 7 C 7.3360 10.6561 0.0 0
M  V30 8 O 8.6696 9.8861 0.0 0
M  V30 9 P 10.0034 10.6561 0.0 0 VAL=5
M  V30 10 O 11.3371 11.4261 0.0 0
M  V30 11 O 10.7735 9.3224 0.0 0
M  V30 12 O 9.2334 11.9897 0.0 0
M  V30 13 P 12.6708 10.6561 0.0 0 VAL=5
M  V30 14 O 14.0045 9.8861 0.0 0
M  V30 15 O 11.9008 9.3224 0.0 0
M  V30 16 O 13.4408 11.9897 0.0 0
M  V30 17 C 15.3383 10.6561 0.0 0
M  V30 18 N 2.8934 1.5400 0.0 0
M  V30 19 O 15.6885 7.3239 0.0 0
M  V30 20 O 18.9657 6.6273 0.0 0
M  V30 21 C 23.4253 12.5037 0.0 0
M  V30 22 N 22.5201 13.7497 0.0 0
M  V30 23 O 24.9569 12.6647 0.0 0
M  V30 24 C 4.3349 8.0343 0.0 0 CFG=2
M  V30 25 C 3.5649 9.3680 0.0 0 CFG=2
M  V30 26 O 5.8413 8.3545 0.0 0
M  V30 27 C 4.5953 10.5124 0.0 0 CFG=2
M  V30 28 C 6.0023 9.8861 0.0 0 CFG=2
M  V30 29 N 3.7086 6.6273 0.0 0
M  V30 30 C 4.4786 5.2937 0.0 0
M  V30 31 C 2.2021 6.3072 0.0 0
M  V30 32 C 3.4480 4.1491 0.0 0
M  V30 33 N 5.9849 4.9735 0.0 0
M  V30 34 N 2.0412 4.7756 0.0 0
M  V30 35 C 3.9240 2.6846 0.0 0
M  V30 36 C 6.4607 3.5088 0.0 0
M  V30 37 N 5.4303 2.3644 0.0 0
M  V30 38 C 16.6719 9.8861 0.0 0 CFG=2
M  V30 39 O 18.0788 10.5124 0.0 0
M  V30 40 C 16.8329 8.3545 0.0 0 CFG=1
M  V30 41 C 19.1094 9.3680 0.0 0 CFG=1
M  V30 42 C 18.3393 8.0343 0.0 0 CFG=1
M  V30 43 N 20.6409 9.5289 0.0 0
M  V30 44 C 21.2673 10.9359 0.0 0
M  V30 45 C 21.5462 8.2830 0.0 0
M  V30 46 C 22.7988 11.0968 0.0 0
M  V30 47 C 23.0777 8.4440 0.0 0
M  V30 48 C 23.7040 9.8509 0.0 0
M  V30 49 Na 12.4784 0.0000 0.0 0 VAL=-1
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 25 1 CFG=3
M  V30 3 2 2 3
M  V30 4 1 2 4
M  V30 5 1 2 5
M  V30 6 1 27 6 CFG=3
M  V30 7 1 7 8
M  V30 8 1 28 7 CFG=1
M  V30 9 1 8 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 1 13 14
M  V30 15 2 13 15
M  V30 16 1 13 16
M  V30 17 1 14 17
M  V30 18 1 38 17 CFG=1
M  V30 19 1 18 35
M  V30 20 1 40 19 CFG=3
M  V30 21 1 42 20 CFG=3
M  V30 22 1 21 22
M  V30 23 2 21 23
M  V30 24 1 21 46
M  V30 25 1 24 25
M  V30 26 1 24 26
M  V30 27 1 24 29 CFG=1
M  V30 28 1 25 27
M  V30 29 1 26 28
M  V30 30 1 27 28
M  V30 31 1 29 30
M  V30 32 1 29 31
M  V30 33 1 30 32
M  V30 34 2 30 33
M  V30 35 2 31 34
M  V30 36 1 32 34
M  V30 37 2 32 35
M  V30 38 1 33 36
M  V30 39 1 35 37
M  V30 40 2 36 37
M  V30 41 1 38 39
M  V30 42 1 38 40
M  V30 43 1 39 41
M  V30 44 1 40 42
M  V30 45 1 41 42
M  V30 46 1 41 43 CFG=1
M  V30 47 1 43 44
M  V30 48 1 43 45
M  V30 49 2 44 46
M  V30 50 2 45 47
M  V30 51 1 46 48
M  V30 52 1 47 48
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(8 24 25 27 28 38 40 41 42)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
2646-71-1

> <cas.index.name>
Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide, sodium salt (1:4)

> <molecular.formula>
C21H30N7O17P3.4Na

> <molecular.weight>
837.38

$$$$
