
 D-AP4

 21 20  0  0  0  0  0  0  0  0999 V2000
    2.0046    0.1923    0.4700 C   0  0  0  0  0
    3.0431    0.4684    1.5528 C   0  0  0  0  0
    4.6475    1.0715    1.0761 P   0  0  0  0  0
    5.4905    1.6069    2.1850 O   0  0  0  0  0
    5.3697   -0.0684    0.2198 O   0  0  0  0  0
    4.3968    2.1723   -0.0619 O   0  0  0  0  0
    2.2227   -1.1122   -0.3004 C   0  0  0  0  0
    0.9668   -1.4284   -1.1294 C   0  0  0  0  0
   -0.1184   -1.7707   -0.6879 O   0  0  0  0  0
    1.1414   -1.2593   -2.4587 O   0  0  0  0  0
    3.4279   -1.0173   -1.1683 N   0  0  0  0  0
    1.0219    0.1454    0.9581 H   0  0  0  0  0
    1.9527    1.0400   -0.2243 H   0  0  0  0  0
    3.1692   -0.4193    2.1832 H   0  0  0  0  0
    2.6219    1.2436    2.2054 H   0  0  0  0  0
    4.7351   -0.5718   -0.3521 H   0  0  0  0  0
    5.2337    2.6363   -0.2606 H   0  0  0  0  0
    2.3738   -1.9523    0.3860 H   0  0  0  0  0
    0.2590   -1.4621   -2.8384 H   0  0  0  0  0
    3.4765   -1.8966   -1.7015 H   0  0  0  0  0
    3.1897   -0.3398   -1.9108 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 16  1  0  0  0
  6 17  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 11 20  1  0  0  0
 11 21  1  0  0  0
M  END

>  <Chemical Name>
D-AP4

>  <PubChem CID>
1550579

>  <Formula>
C4H10NO5P

>  <Molecular Weight>
183.100000

>  <IUPAC Name>
(2R)-2-amino-4-phosphonobutanoic acid

>  <XlogP>
-5.500

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C(CP(=O)(O)O)C(C(=O)O)N

>  <Isomeric SMILES>
C(CP(=O)(O)O)[C@H](C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1

>  <InChI Key>
DDOQBQRIEWHWBT-GSVOUGTGSA-N

