Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 1,4-dihydro-1-β-D-ri...
C21H29N7O14P2.xH2O.2Na
1949720-50-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  46 48 0 0 0
M  V30 BEGIN ATOM
M  V30 1 O 7.9888 15.0942 0.0 0
M  V30 2 N 0.0000 14.2340 0.0 0
M  V30 3 C 9.1159 9.7917 0.0 0
M  V30 4 O 10.6559 9.7917 0.0 0
M  V30 5 P 11.4259 8.4579 0.0 0 VAL=5
M  V30 6 O 12.1959 7.1242 0.0 0
M  V30 7 O 10.0923 7.6879 0.0 0
M  V30 8 O 12.7596 9.2279 0.0 0
M  V30 9 P 13.7359 7.1242 0.0 0 VAL=5
M  V30 10 O 15.2760 7.1242 0.0 0
M  V30 11 O 13.7359 8.6642 0.0 0
M  V30 12 O 13.7359 5.5842 0.0 0
M  V30 13 C 16.0460 5.7906 0.0 0
M  V30 14 O 10.4787 12.8523 0.0 0
M  V30 15 O 18.0153 3.0800 0.0 0
M  V30 16 O 21.2016 4.1153 0.0 0
M  V30 17 C 25.2614 7.1182 0.0 0
M  V30 18 N 25.4223 5.5867 0.0 0
M  V30 19 O 26.5072 8.0234 0.0 0
M  V30 20 N 5.0873 13.4190 0.0 0
M  V30 21 C 3.7536 12.6490 0.0 0
M  V30 22 C 4.7671 14.9253 0.0 0
M  V30 23 C 2.6091 13.6794 0.0 0
M  V30 24 N 3.4334 11.1427 0.0 0
M  V30 25 N 3.2356 15.0864 0.0 0
M  V30 26 C 1.1445 13.2035 0.0 0
M  V30 27 C 1.9687 10.6667 0.0 0
M  V30 28 N 0.8244 11.6973 0.0 0
M  V30 29 C 6.4941 12.7927 0.0 0 CFG=1
M  V30 30 O 6.8144 11.2862 0.0 0
M  V30 31 C 7.8279 13.5627 0.0 0 CFG=2
M  V30 32 C 8.3459 11.1253 0.0 0 CFG=2
M  V30 33 C 8.9722 12.5321 0.0 0 CFG=2
M  V30 34 C 17.5860 5.7906 0.0 0 CFG=2
M  V30 35 O 18.4912 7.0364 0.0 0
M  V30 36 C 18.4912 4.5447 0.0 0 CFG=1
M  V30 37 C 19.9557 6.5606 0.0 0 CFG=1
M  V30 38 C 19.9557 5.0206 0.0 0 CFG=1
M  V30 39 N 21.2016 7.4658 0.0 0
M  V30 40 C 22.6085 6.8393 0.0 0
M  V30 41 C 21.0407 8.9973 0.0 0
M  V30 42 C 23.8544 7.7445 0.0 0
M  V30 43 C 22.2865 9.9025 0.0 0
M  V30 44 C 23.6935 9.2761 0.0 0
M  V30 45 Na 13.2536 1.5400 0.0 0 VAL=-1
M  V30 46 O 13.2536 0.0000 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 31 1 CFG=3
M  V30 2 1 2 26
M  V30 3 1 3 4
M  V30 4 1 32 3 CFG=1
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 1 34 13 CFG=1
M  V30 15 1 33 14 CFG=3
M  V30 16 1 36 15 CFG=3
M  V30 17 1 38 16 CFG=3
M  V30 18 1 17 18
M  V30 19 2 17 19
M  V30 20 1 17 42
M  V30 21 1 20 21
M  V30 22 1 20 22
M  V30 23 1 29 20 CFG=1
M  V30 24 1 21 23
M  V30 25 2 21 24
M  V30 26 2 22 25
M  V30 27 1 23 25
M  V30 28 2 23 26
M  V30 29 1 24 27
M  V30 30 1 26 28
M  V30 31 2 27 28
M  V30 32 1 29 30
M  V30 33 1 29 31
M  V30 34 1 30 32
M  V30 35 1 31 33
M  V30 36 1 32 33
M  V30 37 1 34 35
M  V30 38 1 34 36
M  V30 39 1 35 37
M  V30 40 1 36 38
M  V30 41 1 37 38
M  V30 42 1 37 39 CFG=1
M  V30 43 1 39 40
M  V30 44 1 39 41
M  V30 45 2 40 42
M  V30 46 2 41 43
M  V30 47 1 42 44
M  V30 48 1 43 44
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(8 29 31 32 33 34 36 37 38)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1949720-50-6

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

> <molecular.formula>
C21H29N7O14P2.xH2O.2Na

$$$$
