7-[(5R)-5-C-(4-Chlorophenyl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-...
C17H17ClN4O4
1989620-03-2 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 O 4.7065 7.5973 0.0 0
M  V30 2 C 9.2287 5.9770 0.0 0 CFG=2
M  V30 3 O 9.2287 7.5171 0.0 0
M  V30 4 O 8.0385 7.9475 0.0 0
M  V30 5 N 0.0000 1.0848 0.0 0
M  V30 6 Cl 14.5635 2.8970 0.0 0
M  V30 7 N 4.0098 4.3201 0.0 0
M  V30 8 C 3.6896 2.8138 0.0 0
M  V30 9 C 2.6761 5.0901 0.0 0
M  V30 10 C 2.1580 2.6527 0.0 0
M  V30 11 N 4.5948 1.5678 0.0 0
M  V30 12 C 1.5317 4.0597 0.0 0
M  V30 13 C 1.5317 1.2459 0.0 0
M  V30 14 C 3.9685 0.1609 0.0 0
M  V30 15 N 2.4368 0.0000 0.0 0
M  V30 16 C 5.4168 4.9464 0.0 0 CFG=1
M  V30 17 O 6.7504 4.1764 0.0 0
M  V30 18 C 5.7369 6.4529 0.0 0 CFG=2
M  V30 19 C 7.8948 5.2070 0.0 0 CFG=2
M  V30 20 C 7.2685 6.6138 0.0 0 CFG=2
M  V30 21 C 10.5623 5.2070 0.0 0
M  V30 22 C 10.5623 3.6670 0.0 0
M  V30 23 C 11.8960 5.9770 0.0 0
M  V30 24 C 11.8960 2.8970 0.0 0
M  V30 25 C 13.2297 5.2070 0.0 0
M  V30 26 C 13.2297 3.6670 0.0 0
M  V30 27 H 8.8001 3.9611 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 18 1 CFG=3
M  V30 2 1 2 3 CFG=3
M  V30 3 1 2 19
M  V30 4 1 2 21
M  V30 5 1 20 4 CFG=3
M  V30 6 1 5 13
M  V30 7 1 6 26
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 16 7 CFG=1
M  V30 11 1 8 10
M  V30 12 2 8 11
M  V30 13 2 9 12
M  V30 14 1 10 12
M  V30 15 2 10 13
M  V30 16 1 11 14
M  V30 17 1 13 15
M  V30 18 2 14 15
M  V30 19 1 16 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 1 18 20
M  V30 23 1 19 20
M  V30 24 1 19 27 CFG=3
M  V30 25 2 21 22
M  V30 26 1 21 23
M  V30 27 1 22 24
M  V30 28 2 23 25
M  V30 29 2 24 26
M  V30 30 1 25 26
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(5 2 16 18 19 20)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1989620-03-2

> <cas.index.name>
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[(5R)-5-C-(4-chlorophenyl)-β-D-ribofuranosyl]-

> <molecular.formula>
C17H17ClN4O4

> <molecular.weight>
376.79

> <boiling.point.predicted>
713.3±60.0 °C    Press: 760 Torr

> <density.predicted>
1.73±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.40±0.70    Most Acidic Temp: 25 °C

$$$$
