2-Deoxy-D-galactose(1949-89-9) Raman

Product Name2-Deoxy-D-galactose

CAS 1949-89-9

Molecular FormulaC6H12O5

Molecular Weight164.16

InChIInChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1

InChIKey VRYALKFFQXWPIH-HSUXUTPPSA-N

SmilesO=CC[C@H]([C@H]([C@@H](CO)O)O)O

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Mass

MS-NW-2267          
2-deoxy-D-galactose
C6H12O5             (Mass of molecular ion:    164)

   Source Temperature: 210 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      13.0       2.2
      14.0       7.7
      15.0      30.9
      16.0       1.4
      17.0      10.7
      18.0      52.9
      19.0      22.3
      25.0       2.1
      26.0       9.4
      27.0      36.8
      28.0      31.4
      29.0      92.8
      30.0      14.3
      31.0     100.0
      32.0      26.8
      33.0       1.3
      37.0       2.3
      38.0       3.6
      39.0      24.0
      40.0       6.5
      41.0      19.8
      42.0      26.3
      43.0      94.0
      44.0      75.9
      45.0      57.0
      46.0       5.9
      47.0       4.9
      51.0       1.6
      53.0       5.5
      54.0       3.9
      55.0      23.8
      56.0      38.2
      57.0      75.4
      58.0      20.1
      59.0       2.4
      60.0      50.6
      61.0      34.4
      62.0       2.7
      68.0      14.7
      69.0      13.7
      70.0       5.2
      71.0      22.4
      72.0      11.8
      73.0      28.2
      74.0      37.5
      75.0       6.9
      81.0       6.2
      82.0       3.2
      83.0       2.0
      84.0       4.2
      85.0      29.3
      86.0      36.4
      87.0       4.4
      91.0       2.8
      97.0      11.6
      98.0       5.1
      99.0       4.3
     100.0       1.9
     102.0       2.4
     103.0      34.0
     104.0       1.7
     110.0       3.0
     111.0       1.4
     115.0       9.0
     116.0       1.3
     117.0       1.5
     128.0       4.4
     129.0       1.2

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₂ O₅	0.039 g : 0.5 ml D₂O
2-deoxy-D-galactose

    Assign.     Shift(ppm)

      A             5.408
      B             4.85
      K             2.013
      L             1.91
      M             1.85
      N             1.667
     
     THE SOLVENT SIGNAL AT 4.8 PPM SUPPRESSED.
     PARTIALLY ASSIGNED.

     Hz     ppm     Int.

   2162.23   5.411    288
   2159.18   5.403    278
   1943.24   4.863    117
   1941.16   4.858    115
   1639.53   4.103    122
   1637.45   4.098    162
   1634.28   4.090    207
   1630.74   4.081    162
   1627.69   4.073    138
   1625.37   4.067    132
   1622.07   4.059    233
   1615.23   4.042    307
   1609.13   4.027    170
   1562.74   3.911    128
   1559.45   3.903    161
   1557.74   3.898    171
   1554.57   3.890    163
   1550.29   3.880    196
   1547.36   3.872    481
   1545.41   3.867    465
   1514.53   3.790    133
   1510.50   3.780    813
   1507.45   3.772    464
   1504.88   3.766    599
   1503.05   3.761    671
   1500.12   3.754    612
   1493.65   3.738   1000
   1487.43   3.722    830
   1439.94   3.604    257
   1439.21   3.602    237
   1435.18   3.592    250
   1434.20   3.589    257
   1432.50   3.585    240
   1431.52   3.582    206
   1427.73   3.573    176
   1426.64   3.570    161
    812.01   2.032    119
    809.45   2.026    121
    808.84   2.024    112
    807.25   2.020    122
    802.12   2.008    127
    801.27   2.005    129
    799.93   2.002    142
    797.24   1.995    141
    796.63   1.994    130
    795.04   1.990    135
    769.90   1.927    175
    766.11   1.917    169
    757.81   1.897    192
    754.15   1.888    168
    746.83   1.869    225
    741.58   1.856    201
    682.62   1.709    145
    672.73   1.684    133
    670.41   1.678    277
    660.64   1.654    220
    658.33   1.648    153

KBr disc