
 Cgp 35348

 34 33  0  0  0  0  0  0  0  0999 V2000
    1.5062    3.8710    0.1370 C   0  0  0  0  0
    2.7429    3.1278    0.6035 C   0  0  0  0  0
    3.7727    3.3254   -0.3626 O   0  0  0  0  0
    4.8723    2.4209   -0.1900 C   0  0  0  0  0
    5.6641    2.3904   -1.3853 O   0  0  0  0  0
    4.9390    1.8340   -2.4812 C   0  0  0  0  0
    5.8509    1.7733   -3.6908 C   0  0  0  0  0
    5.9318    3.0803    1.1297 P   0  0  0  0  0
    5.3072    3.1318    2.5008 O   0  0  0  0  0
    7.5068    2.2457    1.0923 C   0  0  0  0  0
    7.4907    0.7268    1.2333 C   0  0  0  0  0
    6.9042    0.2037    2.5422 C   0  0  0  0  0
    5.4528    0.3578    2.5892 N   0  0  0  0  0
    6.2993    4.5857    0.6461 O   0  0  0  0  0
    0.6934    3.7661    0.8612 H   0  0  0  0  0
    1.1686    3.4846   -0.8306 H   0  0  0  0  0
    1.7227    4.9347   -0.0015 H   0  0  0  0  0
    2.5114    2.0619    0.7110 H   0  0  0  0  0
    3.0577    3.5295    1.5691 H   0  0  0  0  0
    4.5348    1.4064    0.0455 H   0  0  0  0  0
    4.0709    2.4596   -2.7128 H   0  0  0  0  0
    4.5957    0.8241   -2.2268 H   0  0  0  0  0
    6.2411    2.7673   -3.9322 H   0  0  0  0  0
    5.3162    1.3834   -4.5608 H   0  0  0  0  0
    6.7147    1.1300   -3.4912 H   0  0  0  0  0
    8.1365    2.6735    1.8813 H   0  0  0  0  0
    7.9992    2.4904    0.1432 H   0  0  0  0  0
    8.5248    0.3705    1.1579 H   0  0  0  0  0
    6.9498    0.2867    0.3856 H   0  0  0  0  0
    7.3627    0.6996    3.4040 H   0  0  0  0  0
    7.1348   -0.8650    2.6230 H   0  0  0  0  0
    5.2405    1.3226    2.8954 H   0  0  0  0  0
    5.0931   -0.2102    3.3592 H   0  0  0  0  0
    5.4986    5.1228    0.4789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 14  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 34  1  0  0  0
M  END

>  <Chemical Name>
Cgp 35348

>  <PubChem CID>
107699

>  <Formula>
C8H20NO4P

>  <Molecular Weight>
225.225000

>  <IUPAC Name>
3-aminopropyl(diethoxymethyl)phosphinic acid

>  <XlogP>
-3.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC(OCC)P(=O)(CCCN)O

>  <Isomeric SMILES>
CCOC(OCC)P(=O)(CCCN)O

>  <InChI Std. ID>
InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11)

>  <InChI Key>
QIIVUOWTHWIXFO-UHFFFAOYSA-N

