4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside
C18H21NO8
37067-30-4 Copyright (C) 2023 ACS
 27 29  0  0  1  0  0  0  0  0999 V2000
    5.3348    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    9.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3370    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.6201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0010    6.1601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6673    6.9302    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3337    6.1601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    6.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    6.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
 13  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
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  7  8  1  0  0  0  0
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 10 25  1  0  0  0  0
 11 26  2  0  0  0  0
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 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 23  2  0  0  0  0
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M  END
> <cas.rn>
37067-30-4

> <cas.index.name>
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-

> <molecular.formula>
C18H21NO8

> <molecular.weight>
379.36

> <boiling.point.predicted>
732.2±60.0 °C    Press: 760 Torr

> <density.predicted>
1.47±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
12.87±0.70    Most Acidic Temp: 25 °C

$$$$
