(4R)-2′-Deoxy-2′,2′-difluoro-3,4,5,6-tetrahydrouridine
C9H14F2N2O5
1141397-80-9 Copyright (C) 2025 ACS
 18 19  0  0  1  0  0  0  0  0999 V2000
    5.9743    1.7271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952    0.1954    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952    6.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3015    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6263    2.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299    6.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952    3.2586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4343    1.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1884    3.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    1.4069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1578    2.7406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9288    4.0286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9288    5.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    6.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5963    5.5686    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3 14  2  0  0  0  0
 11  4  1  6  0  0  0
  5  6  1  0  0  0  0
 12  5  1  1  0  0  0
 18  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  1  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <cas.rn>
1141397-80-9

> <ca.index.name>
Uridine, 2′-deoxy-2′,2′-difluoro-3,4,5,6-tetrahydro-, (4R)-

> <molecular.formula>
C9H14F2N2O5

> <smiles.canonical>
O=C1NC(O)CCN1C2OC(CO)C(O)C2(F)F

> <smiles.isomeric>
FC1(F)[C@@H](O[C@H](CO)[C@H]1O)N2C(=O)N[C@H](O)CC2

> <molecular.weight>
268.22

> <melting.point.experimental>
162-165 °C

> <boiling.point.predicted>
597.687±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.641±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.722±0.70    Most Acidic Temp: 25 °C

$$$$
