
 MPPG

 28 28  0  0  0  0  0  0  0  0999 V2000
    3.5446   -0.0767   -1.0926 C   0  0  0  0  0
    2.4790   -0.0010    0.0100 C   0  0  0  0  0
    2.9897   -0.7195    1.2679 C   0  0  0  0  0
    3.8334   -0.0724    2.1881 C   0  0  0  0  0
    4.3252   -0.7413    3.3148 C   0  0  0  0  0
    4.0060   -2.0826    3.5503 C   0  0  0  0  0
    3.1860   -2.7411    2.6286 C   0  0  0  0  0
    2.6917   -2.0738    1.5037 C   0  0  0  0  0
    4.5952   -2.9418    4.9656 P   0  0  0  0  0
    4.9834   -4.3804    4.8557 O   0  0  0  0  0
    5.7775   -2.0710    5.6170 O   0  0  0  0  0
    3.4827   -2.7068    6.1029 O   0  0  0  0  0
    2.1548    1.4990    0.2930 C   0  0  0  0  0
    2.9380    2.4368    0.3041 O   0  0  0  0  0
    0.8471    1.7217    0.5797 O   0  0  0  0  0
    1.2428   -0.6494   -0.5215 N   0  0  0  0  0
    3.2224    0.4507   -1.9987 H   0  0  0  0  0
    3.7700   -1.1143   -1.3677 H   0  0  0  0  0
    4.4859    0.3865   -0.7722 H   0  0  0  0  0
    4.1402    0.9616    2.0373 H   0  0  0  0  0
    4.9798   -0.2108    4.0050 H   0  0  0  0  0
    2.9390   -3.7916    2.7794 H   0  0  0  0  0
    2.0759   -2.6325    0.7996 H   0  0  0  0  0
    6.1897   -2.5790    6.3418 H   0  0  0  0  0
    2.9278   -1.9215    5.9438 H   0  0  0  0  0
    0.8102    2.6845    0.7620 H   0  0  0  0  0
    0.9636   -0.1592   -1.3711 H   0  0  0  0  0
    0.4989   -0.4352    0.1493 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 16  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  8 23  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 24  1  0  0  0
 12 25  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
M  END

>  <Chemical Name>
MPPG

>  <PubChem CID>
3972752

>  <Formula>
C9H12NO5P

>  <Molecular Weight>
245.171000

>  <IUPAC Name>
2-amino-2-(4-phosphonophenyl)propanoic acid

>  <XlogP>
-3.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C9H12NO5P/c1-9(10,8(11)12)6-2-4-7(5-3-6)16(13,14)15/h2-5H,10H2,1H3,(H,11,12)(H2,13,14,15)

>  <InChI Key>
PAONCRJPUQXPRW-UHFFFAOYSA-N

