Laninamivir
C13H22N4O7
203120-17-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  25 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.5599 6.0672 0.0 0 CFG=2
M  V30 2 C 2.0433 6.3346 0.0 0 CFG=2
M  V30 3 O 4.5498 7.2469 0.0 0
M  V30 4 C 1.5166 7.7817 0.0 0
M  V30 5 O 1.0534 5.1549 0.0 0
M  V30 6 C 4.0232 8.6941 0.0 0
M  V30 7 O 0.0000 8.0492 0.0 0
M  V30 8 N 5.4204 6.9301 0.0 0
M  V30 9 C 6.7541 7.7001 0.0 0
M  V30 10 C 8.0877 6.9301 0.0 0
M  V30 11 O 6.7541 9.2401 0.0 0
M  V30 12 N 8.0877 5.3901 0.0 0
M  V30 13 C 9.4216 4.6201 0.0 0
M  V30 14 N 10.7552 5.3901 0.0 0
M  V30 15 N 9.4216 3.0800 0.0 0
M  V30 16 C 5.4204 0.7700 0.0 0
M  V30 17 O 6.7541 0.0000 0.0 0
M  V30 18 O 4.0868 0.0000 0.0 0
M  V30 19 C 4.0868 4.6201 0.0 0 CFG=2
M  V30 20 C 5.4204 5.3901 0.0 0 CFG=2
M  V30 21 O 4.0868 3.0800 0.0 0
M  V30 22 C 6.7541 4.6201 0.0 0 CFG=1
M  V30 23 C 5.4204 2.3100 0.0 0
M  V30 24 C 6.7541 3.0800 0.0 0
M  V30 25 H 2.5701 4.3527 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3 CFG=1
M  V30 3 1 1 19
M  V30 4 1 2 4
M  V30 5 1 2 5 CFG=3
M  V30 6 1 3 6
M  V30 7 1 4 7
M  V30 8 1 8 9
M  V30 9 1 20 8 CFG=3
M  V30 10 1 9 10
M  V30 11 2 9 11
M  V30 12 1 12 13
M  V30 13 1 22 12 CFG=1
M  V30 14 2 13 14
M  V30 15 1 13 15
M  V30 16 1 16 17
M  V30 17 2 16 18
M  V30 18 1 16 23
M  V30 19 1 19 20
M  V30 20 1 19 21
M  V30 21 1 19 25 CFG=3
M  V30 22 1 20 22
M  V30 23 1 21 23
M  V30 24 1 22 24
M  V30 25 2 23 24
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(5 1 2 19 20 22)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
203120-17-6

> <cas.index.name>
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl-

> <molecular.formula>
C13H22N4O7

> <molecular.weight>
346.34

> <density.predicted>
1.61±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
3.81±0.70    Most Acidic Temp: 25 °C

$$$$
