Product Name2'-Deoxyadenosine
CAS958-09-8
Molecular FormulaC10H13N5O3
Molecular Weight251.24
InChIInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKey OLXZPDWKRNYJJZ-RRKCRQDMSA-N
SmilesOC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2)C[C@@H]1O

Mass
MS-NW-2025 2'-deoxyadenosine C10H13N5O3 (Mass of molecular ion: 251)
Source Temperature: 190 °C Sample Temperature: 190 °C Direct, 75 eV
15.0 2.1
17.0 1.2
18.0 6.4
19.0 1.8
26.0 1.5
27.0 7.6
28.0 18.9
29.0 8.0
30.0 2.1
31.0 5.2
38.0 2.3
39.0 7.7
40.0 2.9
41.0 4.9
42.0 3.6
43.0 10.2
44.0 6.4
45.0 7.9
47.0 1.3
52.0 1.2
53.0 6.2
54.0 10.3
55.0 5.1
56.0 2.2
57.0 4.3
65.0 1.7
66.0 5.5
67.0 2.4
67.5 1.1
68.0 4.5
69.0 4.1
70.0 5.2
71.0 3.0
73.0 7.7
80.0 2.6
81.0 10.7
82.0 1.0
92.0 1.5
93.0 1.0
97.0 3.6
98.0 4.5
99.0 2.1
107.0 1.4
108.0 23.8
109.0 1.8
117.0 2.5
119.0 1.5
134.0 2.5
135.0 100.0
136.0 15.9
137.0 1.0
161.0 1.0
162.0 10.4
163.0 1.1
164.0 4.2
221.0 1.3
400 MHz in DMSO-d6

| 1H NMR | 399.65 MHz |
| C10 H13 N5 O3 | 0.037 g : 0.5 ml DMSO-d6 |
| 2'-deoxyadenosine | |
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Assign. Shift(ppm) |
Hz ppm Int.
3331.67 8.337 1000
3250.37 8.134 996
2922.24 7.312 431
2542.60 6.363 165
2536.50 6.347 207
2534.67 6.343 208
2528.56 6.327 160
2124.88 5.317 331
2123.41 5.314 261
2120.85 5.307 329
2119.51 5.304 232
2104.37 5.266 136
2102.91 5.262 116
2099.49 5.254 167
2097.78 5.250 242
2096.07 5.245 130
2092.77 5.237 128
2091.31 5.233 89
1764.53 4.416 151
1557.62 3.898 104
1555.18 3.892 130
1553.59 3.888 226
1551.03 3.881 216
1549.56 3.878 136
1546.88 3.871 96
1459.47 3.652 79
1454.71 3.640 125
1450.20 3.629 89
1447.63 3.623 140
1443.12 3.611 200
1442.87 3.611 200
1438.48 3.600 106
1419.07 3.551 122
1414.92 3.541 128
1412.48 3.535 129
1408.08 3.524 142
1402.95 3.511 73
1400.51 3.505 79
1396.36 3.494 69
1103.88 2.763 84
1098.14 2.748 98
1095.83 2.742 95
1090.58 2.729 163
1084.96 2.715 96
1082.64 2.709 110
1077.15 2.696 86
912.48 2.284 104
909.67 2.277 104
906.49 2.269 109
903.69 2.262 110
899.29 2.251 96
896.48 2.244 95
893.19 2.235 85
890.50 2.229 80
in CD3SOCD3
in D2O


KBr disc

nujol mull

2'-Deoxyadenosine (958-09-8) 13C NMR Atlas of Related Products
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