
 CID 57689797

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.6779   -1.2447    0.5670 C   0  0  0  0  0
    1.1044    0.0894    1.1596 C   0  0  0  0  0
   -0.0200    0.8149    1.9445 C   0  0  0  0  0
   -1.1918    0.3783    1.8123 O   0  0  0  0  0
    0.4932    1.6118    2.7908 O   0  0  0  0  0
    2.2679   -0.1414    2.1121 N   0  0  0  0  0
    2.0869   -1.0023    2.6458 H   0  0  0  0  0
    3.1928   -0.1278    1.6890 H   0  0  0  0  0
    2.1548    0.6475    2.7890 H   0  0  0  0  0
    0.5807   -2.2242    1.5988 O   0  0  0  0  0
   -0.8961   -2.7548    1.9666 P   0  0  0  0  0
   -1.8028   -3.0816    0.8344 O   0  0  0  0  0
   -0.5655   -4.0102    2.9001 O   0  0  0  0  0
   -1.4303   -1.7203    3.0490 O   0  0  0  0  0
   -0.2523   -1.1659   -0.0054 H   0  0  0  0  0
    1.4495   -1.5988   -0.1262 H   0  0  0  0  0
    1.4677    0.7696    0.3810 H   0  0  0  0  0
   -1.3968   -4.4302    3.1856 H   0  0  0  0  0
   -1.6496   -0.8380    2.6270 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  6  9  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
 10 11  1  0  0  0
 11 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
 14 19  1  0  0  0
M  CHG  2   5  -1   6   1
M  END

>  <Chemical Name>
CID 57689797

>  <PubChem CID>
57689797

>  <Formula>
C3H8NO6P

>  <Molecular Weight>
185.072000

>  <IUPAC Name>
(2S)-2-azaniumyl-3-phosphonooxypropanoate

>  <XlogP>
-4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C(C(C(=O)[O-])[NH3+])OP(=O)(O)O

>  <Isomeric SMILES>
C([C@@H](C(=O)[O-])[NH3+])OP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

>  <InChI Key>
BZQFBWGGLXLEPQ-REOHCLBHSA-N

