Nicotinamide riboside
C11H15N2O5
1341-23-7 Copyright (C) 2024 ACS
 18 19  0  0  1  0  0  0  0  0999 V2000
    2.2420    6.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    1.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5805    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376    5.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038    2.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690    4.5046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8080    2.9730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5622    5.1309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3017    2.6529    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5317    3.9865    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3028    5.2746    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
    6.6365    4.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028    6.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9701    5.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6365    7.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9701    6.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  2  3  1  0  0  0  0
 11  2  1  6  0  0  0
 12  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  6  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  CHG  1  13   1
M  END
> <cas.rn>
1341-23-7

> <cas.index.name>
Pyridinium, 3-(aminocarbonyl)-1-β-D-ribofuranosyl-

> <molecular.formula>
C11H15N2O5

> <molecular.weight>
255.25

> <pka.predicted>
12.561±0.60    Most Acidic Temp: 25 °C

$$$$
