
 SCHEMBL8239107

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.5937    0.9058   -1.8499 C   0  0  0  0  0
   -0.4166   -0.0540   -1.2674 C   0  0  0  0  0
   -1.6295    0.1724   -2.1288 C   0  0  0  0  0
   -1.5596    1.5389   -2.5360 O   0  0  0  0  0
   -0.2720    1.9741   -2.4388 C   0  0  0  0  0
    0.1067    3.0790   -2.7862 O   0  0  0  0  0
   -0.7072    0.1426    0.4830 P   0  0  0  0  0
    0.5314    0.0425    1.3176 O   0  0  0  0  0
   -1.7389    1.5428    0.8773 C   0  0  0  0  0
   -1.0158    2.8864    0.8804 C   0  0  0  0  0
   -1.9210    4.0659    1.2466 C   0  0  0  0  0
   -1.1034    5.3628    1.1686 C   0  0  0  0  0
   -0.2380    5.7144    1.9536 O   0  0  0  0  0
   -1.3773    6.1080    0.0746 O   0  0  0  0  0
   -3.0956    4.1198    0.3440 N   0  0  0  0  0
   -1.6751   -1.1094    0.8097 O   0  0  0  0  0
    1.2589    1.3227   -1.0906 H   0  0  0  0  0
    1.1698    0.4435   -2.6571 H   0  0  0  0  0
   -0.0604   -1.0841   -1.3847 H   0  0  0  0  0
   -1.6124   -0.4470   -3.0321 H   0  0  0  0  0
   -2.5720   -0.0033   -1.6041 H   0  0  0  0  0
   -2.1523    1.3743    1.8792 H   0  0  0  0  0
   -2.5896    1.5574    0.1904 H   0  0  0  0  0
   -0.5572    3.0638   -0.0955 H   0  0  0  0  0
   -0.1779    2.8369    1.5874 H   0  0  0  0  0
   -2.2912    3.9666    2.2729 H   0  0  0  0  0
   -0.7311    6.8442    0.1169 H   0  0  0  0  0
   -2.7521    4.3933   -0.5838 H   0  0  0  0  0
   -3.6720    4.9159    0.6245 H   0  0  0  0  0
   -1.7321   -1.3098    1.7669 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  7 16  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 10 24  1  0  0  0
 10 25  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL8239107

>  <PubChem CID>
46197781

>  <Formula>
C8H14NO6P

>  <Molecular Weight>
251.175000

>  <IUPAC Name>
(2S)-2-amino-4-[hydroxy-(5-oxooxolan-3-yl)phosphoryl]butanoic acid

>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(COC1=O)P(=O)(CCC(C(=O)O)N)O

>  <Isomeric SMILES>
C1C(COC1=O)P(=O)(CC[C@@H](C(=O)O)N)O

>  <InChI Std. ID>
InChI=1S/C8H14NO6P/c9-6(8(11)12)1-2-16(13,14)5-3-7(10)15-4-5/h5-6H,1-4,9H2,(H,11,12)(H,13,14)/t5?,6-/m0/s1

>  <InChI Key>
GMZJHCHXTJKXKR-GDVGLLTNSA-N

