
 (RS)-PPG

 25 25  0  0  0  0  0  0  0  0999 V2000
   -0.6451    1.2088   -0.1563 C   0  0  0  0  0
    0.7522    1.2395   -0.1754 C   0  0  0  0  0
    1.4978    0.0543   -0.1586 C   0  0  0  0  0
    0.8123   -1.1660   -0.1306 C   0  0  0  0  0
   -0.5847   -1.2005   -0.1100 C   0  0  0  0  0
   -1.3329   -0.0134   -0.1064 C   0  0  0  0  0
   -2.8489   -0.0821   -0.1011 C   0  0  0  0  0
   -3.5211    0.9352    0.8465 C   0  0  0  0  0
   -3.1212    1.3202    1.9337 O   0  0  0  0  0
   -4.7227    1.3711    0.3900 O   0  0  0  0  0
   -3.3661    0.0502   -1.4851 N   0  0  0  0  0
    3.2532    0.1265   -0.2057 P   0  0  0  0  0
    3.9719    1.2280    0.5033 O   0  0  0  0  0
    3.8209   -1.3114    0.2308 O   0  0  0  0  0
    3.6428    0.0646   -1.7652 O   0  0  0  0  0
   -1.1870    2.1526   -0.1684 H   0  0  0  0  0
    1.2681    2.1989   -0.1964 H   0  0  0  0  0
    1.3695   -2.1015   -0.1187 H   0  0  0  0  0
   -1.0882   -2.1653   -0.0971 H   0  0  0  0  0
   -3.1655   -1.0643    0.2722 H   0  0  0  0  0
   -5.0357    1.9652    1.1055 H   0  0  0  0  0
   -3.0559    0.9489   -1.8531 H   0  0  0  0  0
   -4.3828    0.1434   -1.4090 H   0  0  0  0  0
    4.7926   -1.2632    0.3135 H   0  0  0  0  0
    2.9459   -0.3304   -2.3210 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 20  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 21  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 12 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 24  1  0  0  0
 15 25  1  0  0  0
M  END

>  <Chemical Name>
(RS)-PPG

>  <PubChem CID>
4545574

>  <Formula>
C8H10NO5P

>  <Molecular Weight>
231.144000

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

>  <XlogP>
-3.700

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=CC=C1C(C(=O)O)N)P(=O)(O)O

>  <Isomeric SMILES>
C1=CC(=CC=C1C(C(=O)O)N)P(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C8H10NO5P/c9-7(8(10)11)5-1-3-6(4-2-5)15(12,13)14/h1-4,7H,9H2,(H,10,11)(H2,12,13,14)

>  <InChI Key>
JRQRKFDFHAPMGQ-UHFFFAOYSA-N

