Product Name6-THIOGUANOSINE
CAS85-31-4
Molecular FormulaC10H13N5O4S
Molecular Weight299.31
InChIInChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey OTDJAMXESTUWLO-UUOKFMHZSA-N
SmilesOC[C@H]1O[C@@H](N2C3=C(C(NC(=N3)N)=S)N=C2)[C@H](O)[C@@H]1O
Mass
MS-NW-9050 (-)-2-amino-6-mercaptopurine riboside C10H13N5O4S (Mass of molecular ion: 299)
Source Temperature: 230 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 1.5 17.0 4.9 18.0 26.8 19.0 2.6 27.0 3.6 28.0 12.0 29.0 5.8 30.0 1.1 31.0 4.7 32.0 2.9 33.0 2.3 34.0 6.9 38.0 1.0 39.0 2.1 40.0 1.5 41.0 2.9 42.0 3.2 43.0 15.7 44.0 6.7 45.0 5.1 47.0 1.5 53.0 4.8 54.0 3.6 55.0 5.5 56.0 2.7 57.0 18.4 58.0 2.8 59.0 1.3 60.0 8.3 61.0 3.7 64.0 5.4 65.0 1.3 66.0 1.2 68.0 6.9 69.0 3.7 70.0 3.0 71.0 7.5 72.0 3.0 73.0 11.5 74.0 1.8 76.0 1.0 80.0 2.3 81.0 4.2 82.0 1.9 83.0 1.6 84.0 1.1 85.0 6.4 86.0 3.4 92.0 2.4 96.0 1.3 97.0 3.3 98.0 6.4 99.0 1.1 107.0 5.9 108.0 5.2 109.0 8.8 110.0 1.3 112.0 2.7 113.0 1.2 114.0 1.5 115.0 1.8 123.0 1.0 125.0 16.6 126.0 4.2 127.0 1.2 128.0 1.3 133.0 2.8 134.0 17.3 135.0 2.0 139.0 7.2 140.0 1.5 150.0 4.8 151.0 4.5 152.0 1.3 160.0 1.8 166.0 1.5 167.0 100.0 168.0 10.9 169.0 5.2 192.0 1.1 196.0 1.0 210.0 1.1 299.0 1.1
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C10 H13 N5 O4 S | 0.035 g : 0.5 ml DMSO-d6 |
(-)-2-amino-6-mercaptopurine riboside |
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Assign. Shift(ppm) |
Hz ppm Int.
4793.46 11.995 338 3262.74 8.164 1000 2733.03 6.839 143 2287.02 5.723 395 2281.16 5.708 407 2187.37 5.474 376 2181.51 5.459 381 2071.61 5.184 357 2066.85 5.172 359 2026.00 5.070 143 2020.51 5.056 320 2015.20 5.043 144 1771.95 4.434 91 1766.27 4.420 210 1760.96 4.407 215 1755.28 4.393 95 1650.88 4.131 94 1646.30 4.120 191 1642.45 4.110 197 1637.69 4.098 93 1565.16 3.917 90 1561.31 3.907 252 1557.46 3.898 246 1553.62 3.888 88 1466.61 3.670 55 1462.40 3.660 79 1461.85 3.658 79 1457.09 3.646 75 1454.71 3.640 115 1450.31 3.629 141 1449.95 3.629 140 1445.37 3.617 90 1429.98 3.579 95 1425.58 3.568 135 1420.46 3.555 110 1418.26 3.549 79 1413.86 3.538 74 1412.76 3.535 75 1408.55 3.525 53
in DMSO-d6
KBr disc
nujol mull
6-THIOGUANOSINE(85-31-4) MS Atlas of Related Products
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