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Back ChemicalBook Home>CAS DataBase List>154-17-6More Spectrum> 2-Deoxy-D-glucose(154-17-6) IR2

154-17-6

2-Deoxy-D-glucose(154-17-6) IR2

Product Name2-Deoxy-D-glucose

CAS154-17-6

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-PBXRRBTRSA-N

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

  • 2-Deoxy-D-glucose(154-17-6) IR2
    Mass

    MS-NW-9242          
    2-deoxy-D-glucose
    C6H12O5             (Mass of molecular ion:    164)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          14.0       2.2
          15.0      11.5
          17.0       3.9
          18.0      19.4
          19.0      13.7
          26.0       2.5
          27.0      12.1
          28.0      21.9
          29.0      31.2
          30.0       4.6
          31.0      41.3
          32.0      12.4
          39.0       5.9
          40.0       2.1
          41.0      10.9
          42.0      12.4
          43.0      46.3
          44.0      31.5
          45.0      34.3
          46.0       2.8
          47.0       4.1
          53.0       1.5
          54.0       2.0
          55.0      14.4
          56.0      35.3
          57.0      55.7
          58.0      11.4
          59.0       2.0
          60.0     100.0
          61.0      31.1
          62.0       2.3
          68.0       4.6
          69.0      12.2
          70.0       3.0
          71.0      34.9
          72.0       7.0
          73.0      25.3
          74.0      46.6
          75.0       5.1
          81.0       1.5
          82.0       2.4
          83.0       1.3
          84.0       1.3
          85.0      18.1
          86.0      55.3
          87.0       4.6
          89.0       1.2
          91.0       1.5
          97.0       3.6
          98.0       2.9
          99.0       1.7
         100.0       3.5
         102.0       1.1
         103.0      19.8
         104.0       1.4
         111.0       1.6
         115.0      25.2
         116.0       3.0
         117.0       2.1
         120.0       3.3
         128.0       1.0
         129.0       2.5
         133.0       1.8
         147.0       2.2
    

400 MHz in DMSO-d6

400 MHz in D2O

  • 2-Deoxy-D-glucose(154-17-6) IR2

    1H NMR 399.65 MHz
    C6 H12 O5 0.038 g : 0.5 ml DMSO-d6
    2-deoxy-D-glucose
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 6.51 B *1 4.80 C *1 4.78 D 4.611 E *1 4.46 F *2 3.671 G *2 3.444 J 3.358 K 3.019 L 2.923 M 1.907 N 1.279

         Hz     ppm     Int.
    

       2604.61   6.518    661
       2600.59   6.508     52
       2598.02   6.501    682
       1918.33   4.801    698
       1913.45   4.788   1000
       1909.18   4.778    684
       1852.17   4.635    139
       1850.34   4.630    161
       1845.58   4.618    143
       1843.63   4.614    199
       1842.65   4.611    216
       1840.70   4.606    159
       1835.94   4.594    156
       1834.11   4.590    150
       1787.23   4.472    272
       1781.37   4.458    542
       1775.51   4.443    287
       1477.42   3.697    124
       1475.22   3.692    140
       1471.80   3.683    131
       1469.73   3.678    149
       1465.82   3.668    176
       1463.62   3.663    175
       1460.33   3.655    164
       1458.13   3.649    163
       1386.60   3.470    142
       1380.49   3.455    277
       1377.32   3.447     77
       1374.63   3.440    258
       1368.90   3.426    255
       1356.69   3.395     87
       1351.56   3.382    128
       1349.98   3.378     93
       1348.02   3.374     99
       1346.68   3.370    104
       1344.73   3.365    114
       1343.14   3.361    153
       1339.84   3.353    141
       1338.26   3.349    122
       1336.30   3.344    113
       1334.96   3.341     97
       1331.42   3.332    131
       1326.42   3.319     68
       1216.55   3.045    115
       1214.48   3.039    129
       1210.82   3.030    130
       1207.15   3.021    201
       1204.96   3.016    208
       1201.29   3.006    195
       1199.10   3.001    173
       1180.42   2.954    173
       1175.42   2.942    173
       1171.75   2.932    194
       1166.75   2.920    191
       1162.35   2.909    104
       1157.47   2.897     98
        772.09   1.932    123
        770.39   1.928    142
        767.21   1.920    136
        765.38   1.916    143
        762.33   1.908     37
        759.77   1.902    149
        758.06   1.897    156
        754.76   1.889    146
        753.05   1.885    139
        527.83   1.321    124
        518.07   1.297    148
        515.75   1.291    222
        505.98   1.267    214
        503.78   1.261    147
        494.02   1.237    111
    

  • 2-Deoxy-D-glucose(154-17-6) IR2

    1H NMR 399.65 MHz
    C6 H12 O5 0.038 g : 0.5 ml D2O
    2-deoxy-D-glucose
    ChemicalStructure
        Assign.     Shift(ppm)
    A 5.383 B 4.938 C 3.95 D 3.72 E 3.39 F 3.37 G 3.280 J 2.266 K 2.129 L 1.707 M 1.513 MIXTURE OF ANOMERS. THE SOLVENT PEAK SUPPRESSED. PARTIALLY ASSIGNED BY H-H COSY. J(A,L)=3.5 HZ. J(B,J)=1.8 HZ. J(B,M)=9.9 HZ. J(K,L)=-13.3 HZ. J(J,M)=-12.0 HZ.

         Hz     ppm     Int.
    

       2153.08   5.388    550
       2150.15   5.381    565
       1979.74   4.954    367
       1977.91   4.950    432
       1969.85   4.929    401
       1968.02   4.925    436
       1588.75   3.976    188
       1583.74   3.963    201
       1579.59   3.953    217
       1576.90   3.946    252
       1574.58   3.940    268
       1571.78   3.933    237
       1567.63   3.923    561
       1565.31   3.917    476
       1562.74   3.911    272
       1555.30   3.892    527
       1553.10   3.887    583
       1542.97   3.861    372
       1533.20   3.837    716
       1531.37   3.832    674
       1528.20   3.824    450
       1526.49   3.820    443
       1523.32   3.812    335
       1520.51   3.805    381
       1517.82   3.798   1000
       1514.04   3.789    269
       1507.32   3.772    324
       1504.52   3.765    125
       1504.15   3.764    123
       1502.56   3.760    140
       1499.63   3.753    685
       1493.65   3.738    605
       1490.72   3.731    320
       1487.67   3.723    571
       1485.96   3.719    391
       1481.45   3.707    457
       1479.13   3.702    314
       1474.00   3.689    230
       1363.89   3.413    194
       1361.57   3.407    229
       1357.79   3.398    242
       1354.00   3.388    577
       1352.17   3.384    507
       1348.02   3.374    360
       1345.46   3.367    573
       1344.60   3.365    583
       1335.33   3.342    225
       1318.97   3.301    524
       1309.81   3.278    652
       1300.29   3.254    310
        915.77   2.292    203
        913.82   2.287    248
        910.77   2.279    236
        908.81   2.275    253
        903.44   2.261    239
        901.49   2.256    270
        898.32   2.248    253
        896.48   2.244    256
        860.72   2.154    243
        856.69   2.144    230
        855.59   2.141    249
        847.29   2.121    293
        843.26   2.110    266
        842.29   2.108    283
        696.29   1.743    214
        692.75   1.734    232
        684.33   1.713    244
        682.98   1.709    274
        680.79   1.704    293
        679.44   1.701    268
        671.14   1.680    192
        667.48   1.671    196
        621.34   1.555    215
        611.57   1.531    236
        609.38   1.525    414
        599.61   1.501    368
        597.41   1.495    278
        587.52   1.471    190
    

KBr disc

  • 2-Deoxy-D-glucose(154-17-6) IR2

nujol mull

  • 2-Deoxy-D-glucose(154-17-6) IR2

  • 2-Deoxy-D-glucose(154-17-6) IR2

2-Deoxy-D-glucose(154-17-6) IR2 Atlas of Related Products

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