D-Mannosamine hydrochloride (5505-63-5) 1H NMR
Product NameD-Mannosamine hydrochloride
CAS5505-63-5
Molecular FormulaC6H14ClNO5
Molecular Weight215.63
InChIInChI=1/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3+,4-,5-,6?;/s3
InChIKey QKPLRMLTKYXDST-ZVEBPWTMNA-N
Smiles[C@H]1(CO)OC([C@@H](N)[C@@H](O)[C@@H]1O)O.Cl |&1:0,5,7,9,r|
400 MHz in D2O
-
1H NMR 399.65 MHz C6 H13 N O5 0.039 g : 0.5 ml D2O 2-amino-2-deoxy-D-mannopyranose hydrochloride 
Assign. Shift(ppm)
A 5.405 B 5.215 C 4.181 D 4.016 K 3.74 L 3.67 M 3.63 N 3.55 P 3.49 MIXTURE OF ANOMERS. THE SOLVENT PEAK REMOVED. PARTIALLY ASSIGNED BY H-H COSY.
Hz ppm Int.2160.28 5.406 572 2084.84 5.217 1000 1678.47 4.200 184 1673.95 4.189 189 1668.82 4.176 203 1664.31 4.165 207 1612.43 4.035 327 1607.67 4.023 362 1603.03 4.012 371 1598.39 4.000 387 1592.16 3.984 46 1590.94 3.981 39 1579.47 3.953 166 1578.86 3.951 166 1573.00 3.936 482 1572.02 3.934 483 1570.92 3.931 476 1560.67 3.906 540 1559.81 3.903 527 1558.96 3.901 519 1544.07 3.864 416 1543.09 3.862 384 1541.50 3.858 400 1538.82 3.851 407 1533.57 3.838 282 1517.09 3.797 401 1511.60 3.783 427 1504.76 3.766 283 1497.31 3.747 615 1495.97 3.744 564 1492.55 3.735 529 1470.34 3.680 345 1469.24 3.677 328 1465.58 3.668 337 1464.84 3.666 316 1459.84 3.653 234 1450.20 3.629 369 1440.55 3.605 168 1430.42 3.580 237 1420.65 3.555 563 1411.38 3.532 454 1402.22 3.509 340 1401.25 3.507 342 1387.57 3.472 154
KBr disc
nujol mull
