
 MSOPPE

 32 32  0  0  0  0  0  0  0  0999 V2000
    4.7454   -1.6410    1.8309 C   0  0  0  0  0
    3.2182   -1.5661    1.7557 C   0  0  0  0  0
    2.6519   -0.5637    2.7860 C   0  0  0  0  0
    3.0151   -0.8759    4.1259 O   0  0  0  0  0
    2.2291   -2.0743    4.8652 P   0  0  0  0  0
    0.8287   -2.2842    4.3775 O   0  0  0  0  0
    3.1953   -3.3191    4.5538 O   0  0  0  0  0
    2.5009   -1.7676    6.4147 O   0  0  0  0  0
    1.6300   -1.9286    7.4507 C   0  0  0  0  0
    0.2437   -1.8981    7.3288 C   0  0  0  0  0
   -0.5607   -2.0175    8.4648 C   0  0  0  0  0
    0.0183   -2.1568    9.7251 C   0  0  0  0  0
    1.4052   -2.1760    9.8510 C   0  0  0  0  0
    2.2079   -2.0588    8.7153 C   0  0  0  0  0
    2.8289   -1.0734    0.3469 C   0  0  0  0  0
    2.7706    0.0809   -0.0345 O   0  0  0  0  0
    2.5813   -2.0909   -0.5140 O   0  0  0  0  0
    2.6812   -2.9523    1.9879 N   0  0  0  0  0
    5.1500   -2.3155    1.0672 H   0  0  0  0  0
    5.0895   -1.9959    2.8080 H   0  0  0  0  0
    5.1942   -0.6557    1.6567 H   0  0  0  0  0
    1.5606   -0.4840    2.7071 H   0  0  0  0  0
    3.0414    0.4417    2.5852 H   0  0  0  0  0
    3.1313   -3.5016    3.5849 H   0  0  0  0  0
   -0.2461   -1.7608    6.3717 H   0  0  0  0  0
   -1.6429   -1.9920    8.3636 H   0  0  0  0  0
   -0.6114   -2.2426   10.6065 H   0  0  0  0  0
    1.8622   -2.2774   10.8319 H   0  0  0  0  0
    3.2903   -2.0673    8.8180 H   0  0  0  0  0
    2.3895   -1.6368   -1.3658 H   0  0  0  0  0
    2.8809   -3.4773    1.1235 H   0  0  0  0  0
    1.6521   -2.8891    1.9793 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2 18  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  3 23  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 24  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 28  1  0  0  0
 14 29  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 30  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
MSOPPE

>  <PubChem CID>
5311463

>  <Formula>
C10H14NO6P

>  <Molecular Weight>
275.197000

>  <IUPAC Name>
2-amino-3-[hydroxy(phenoxy)phosphoryl]oxy-2-methylpropanoic acid

>  <XlogP>
-2.600

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(COP(=O)(O)OC1=CC=CC=C1)(C(=O)O)N

>  <Isomeric SMILES>
CC(COP(=O)(O)OC1=CC=CC=C1)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C10H14NO6P/c1-10(11,9(12)13)7-16-18(14,15)17-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)(H,14,15)

>  <InChI Key>
GBCGDIQJCHNFKA-UHFFFAOYSA-N

