
 SCHEMBL6353357

 30 29  0  0  0  0  0  0  0  0999 V2000
    1.9806   -1.5751    0.2737 C   0  0  0  0  0
    2.4464   -0.4066    1.1284 C   0  0  0  0  0
    3.4092    0.4958    0.3604 C   0  0  0  0  0
    3.9106    1.6507    1.2214 C   0  0  0  0  0
    5.0344    2.7488    0.3610 P   0  0  0  0  0
    4.4682    3.3642   -0.8828 O   0  0  0  0  0
    5.6561    3.9333    1.5651 C   0  0  0  0  0
    6.6157    4.9866    1.0147 C   0  0  0  0  0
    7.9251    4.3929    0.5076 C   0  0  0  0  0
    8.8414    5.4607    0.1173 N   0  0  0  0  0
    4.5068    4.6195    2.0942 O   0  0  0  0  0
    6.2890    1.7960    0.0081 O   0  0  0  0  0
    1.2942   -2.2104    0.8418 H   0  0  0  0  0
    2.8284   -2.1903   -0.0438 H   0  0  0  0  0
    1.4575   -1.2229   -0.6206 H   0  0  0  0  0
    2.9363   -0.7940    2.0295 H   0  0  0  0  0
    1.5744    0.1714    1.4557 H   0  0  0  0  0
    2.9152    0.8970   -0.5320 H   0  0  0  0  0
    4.2650   -0.0911    0.0075 H   0  0  0  0  0
    4.4179    1.2579    2.1097 H   0  0  0  0  0
    3.0572    2.2405    1.5744 H   0  0  0  0  0
    6.1184    3.3949    2.3987 H   0  0  0  0  0
    6.8169    5.7238    1.8033 H   0  0  0  0  0
    6.1221    5.5420    0.2064 H   0  0  0  0  0
    7.7530    3.7543   -0.3629 H   0  0  0  0  0
    8.3958    3.7872    1.2892 H   0  0  0  0  0
    8.4374    5.9924   -0.6544 H   0  0  0  0  0
    9.7012    5.0499   -0.2458 H   0  0  0  0  0
    4.0952    5.0984    1.3487 H   0  0  0  0  0
    6.1310    1.2307   -0.7755 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  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5 12  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
  9 26  1  0  0  0
 10 27  1  0  0  0
 10 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6353357

>  <PubChem CID>
9834206

>  <Formula>
C7H18NO3P

>  <Molecular Weight>
195.199000

>  <IUPAC Name>
(3-amino-1-hydroxypropyl)-butylphosphinic acid

>  <XlogP>
-3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCP(=O)(C(CCN)O)O

>  <Isomeric SMILES>
CCCCP(=O)(C(CCN)O)O

>  <InChI Std. ID>
InChI=1S/C7H18NO3P/c1-2-3-6-12(10,11)7(9)4-5-8/h7,9H,2-6,8H2,1H3,(H,10,11)

>  <InChI Key>
LZNUMGJTUKTDTC-UHFFFAOYSA-N

