ara-AMP
C10H14N5O7P
29984-33-6 Copyright (C) 2024 ACS
 23 25  0  0  1  0  0  0  0  0999 V2000
    5.3612    7.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7470    4.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8914    5.1624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3561    4.6866    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   13.8206    4.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8320    6.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8801    3.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7117    7.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3259    4.1320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    1.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8341    4.1320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7906    4.6079    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0364    3.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2664    6.0726    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2823    4.6079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8065    6.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 21  1  1  1  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
 22  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
 23  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 19 10  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
29984-33-6

> <cas.index.name>
9H-Purin-6-amine, 9-(5-O-phosphono-β-D-arabinofuranosyl)-

> <molecular.formula>
C10H14N5O7P

> <molecular.weight>
347.22

> <boiling.point.predicted>
798.518±70.00 °C    Press: 760.00 Torr

> <density.predicted>
2.320±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.856±0.10    Most Acidic Temp: 25 °C

$$$$
