
 MSOP

 22 21  0  0  0  0  0  0  0  0999 V2000
    2.3073    2.1682   -0.8466 C   0  0  0  0  0
    2.4652    0.6709   -1.1211 C   0  0  0  0  0
    1.6848   -0.1833   -0.1069 C   0  0  0  0  0
    2.1821    0.0509    1.2081 O   0  0  0  0  0
    1.4612   -0.7554    2.3874 P   0  0  0  0  0
   -0.0120   -0.5944    2.5095 O   0  0  0  0  0
    1.9456   -2.2628    2.2072 O   0  0  0  0  0
    2.2591   -0.3017    3.6913 O   0  0  0  0  0
    1.9199    0.3320   -2.5207 C   0  0  0  0  0
    0.8123    0.6246   -2.9393 O   0  0  0  0  0
    2.8308   -0.3732   -3.2439 O   0  0  0  0  0
    3.9297    0.3167   -1.0896 N   0  0  0  0  0
    2.7826    2.7693   -1.6308 H   0  0  0  0  0
    2.7517    2.4539    0.1133 H   0  0  0  0  0
    1.2492    2.4532   -0.8220 H   0  0  0  0  0
    1.7864   -1.2502   -0.3410 H   0  0  0  0  0
    0.6171    0.0646   -0.1338 H   0  0  0  0  0
    1.4945   -2.8534    2.8367 H   0  0  0  0  0
    1.8889    0.5208    4.0599 H   0  0  0  0  0
    3.6229   -0.4735   -2.6552 H   0  0  0  0  0
    4.4686    1.1403   -1.3773 H   0  0  0  0  0
    4.1748    0.1958   -0.0978 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2 12  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  5  8  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 18  1  0  0  0
  8 19  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
MSOP

>  <PubChem CID>
3964633

>  <Formula>
C4H10NO6P

>  <Molecular Weight>
199.099000

>  <IUPAC Name>
2-amino-2-methyl-3-phosphonooxypropanoic acid

>  <XlogP>
-5.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(COP(=O)(O)O)(C(=O)O)N

>  <Isomeric SMILES>
CC(COP(=O)(O)O)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C4H10NO6P/c1-4(5,3(6)7)2-11-12(8,9)10/h2,5H2,1H3,(H,6,7)(H2,8,9,10)

>  <InChI Key>
GSFCOAGADOGIGE-UHFFFAOYSA-N

