
 2485-33-8

 20 19  0  0  0  0  0  0  0  0999 V2000
    1.1188    0.1499    0.0650 C   0  0  0  0  0
    0.6519    1.0067    1.2480 C   0  0  0  0  0
    1.1521    2.4583    1.1665 C   0  0  0  0  0
    2.2060    2.8495    0.6952 O   0  0  0  0  0
    0.3019    3.3418    1.7405 O   0  0  0  0  0
   -0.8357    0.9810    1.2787 N   0  0  0  0  0
    2.6258   -0.1074   -0.0090 C   0  0  0  0  0
    3.1474   -0.7840    1.2592 C   0  0  0  0  0
    3.3771   -0.2514    2.3316 O   0  0  0  0  0
    3.2781   -2.1231    1.1117 O   0  0  0  0  0
    2.8738   -0.9252   -1.1623 O   0  0  0  0  0
    0.6081   -0.8235    0.0992 H   0  0  0  0  0
    0.8013    0.6110   -0.8809 H   0  0  0  0  0
    0.9956    0.5937    2.2001 H   0  0  0  0  0
    0.7679    4.2009    1.6571 H   0  0  0  0  0
   -1.1897    1.3780    0.4070 H   0  0  0  0  0
   -1.1284    1.6518    1.9970 H   0  0  0  0  0
    3.2015    0.8073   -0.1641 H   0  0  0  0  0
    3.6030   -2.4252    1.9873 H   0  0  0  0  0
    2.8001   -1.8510   -0.8542 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  6  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 15  1  0  0  0
  6 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
M  END

>  <Chemical Name>
2485-33-8

>  <PubChem CID>
440854

>  <Formula>
C5H9NO5

>  <Molecular Weight>
163.129000

>  <IUPAC Name>
(2S,4R)-2-amino-4-hydroxypentanedioic acid

>  <XlogP>
-4.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)/t2-,3+/m0/s1

>  <InChI Key>
HBDWQSHEVMSFGY-STHAYSLISA-N

