D-Mannopyranose, 2-[(2-azidoacetyl)amino]-2-deoxy-, 1,3,4,6-tetraacetate
C16H22N4O10
361154-30-5 Copyright (C) 2025 ACS
 30 30  0  0  1  0  0  0  0  0999 V2000
    7.7000    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    5.3347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200    8.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    8.0021    0.0000 N   0  3  0  0  0  4  0  0  0  0  0  0
   15.4000    8.0021    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    1.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900    9.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   10.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    5.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7000    5.3347    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3900    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9300    6.6684    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6200    5.3347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3900    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 25  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
 26  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 27 12  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 29 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  CHG  2  10   1  11  -1
M  END
> <cas.rn>
361154-30-5

> <ca.index.name>
D-Mannopyranose, 2-[(2-azidoacetyl)amino]-2-deoxy-, 1,3,4,6-tetraacetate

> <molecular.formula>
C16H22N4O10

> <smiles.canonical>
[N-]=[N+]=NCC(=O)NC1C(OC(=O)C)OC(COC(=O)C)C(OC(=O)C)C1OC(=O)C

> <smiles.isomeric>
O(C(C)=O)[C@@H]1[C@H](NC(CN=[N+]=[N-])=O)C(OC(C)=O)O[C@H](COC(C)=O)[C@H]1OC(C)=O

> <molecular.weight>
430.37

> <pka.predicted>
11.214±0.70    Most Acidic Temp: 25 °C

$$$$
