
 PHOSPHONOTHREONINE

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.6556   -0.1779    0.8630 C   0  0  0  0  0
    2.3230   -0.1407   -0.5109 C   0  0  0  0  0
    2.3184   -1.4867   -1.2769 C   0  0  0  0  0
    3.0824   -2.5604   -0.4943 C   0  0  0  0  0
    2.6250   -3.6286   -0.1168 O   0  0  0  0  0
    4.3754   -2.2545   -0.2809 O   0  0  0  0  0
    0.9488   -1.9913   -1.6225 N   0  0  0  0  0
    1.8266    0.9421   -1.3014 O   0  0  0  0  0
    0.3145    0.9871   -1.8199 P   0  0  0  0  0
   -0.7770    0.6761   -0.8547 O   0  0  0  0  0
    0.2175    2.4163   -2.5228 O   0  0  0  0  0
    0.3197    0.0532   -3.1160 O   0  0  0  0  0
    1.6498    0.8219    1.3094 H   0  0  0  0  0
    2.1861   -0.8532    1.5410 H   0  0  0  0  0
    0.6167   -0.5103    0.8137 H   0  0  0  0  0
    3.3717    0.1250   -0.3271 H   0  0  0  0  0
    2.8342   -1.3563   -2.2360 H   0  0  0  0  0
    4.7417   -3.0367    0.1874 H   0  0  0  0  0
    0.4373   -2.1334   -0.7397 H   0  0  0  0  0
    1.0675   -2.9579   -1.9586 H   0  0  0  0  0
    0.7524    2.4242   -3.3346 H   0  0  0  0  0
    0.3257   -0.8821   -2.7913 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  8  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 18  1  0  0  0
  7 19  1  0  0  0
  7 20  1  0  0  0
  8  9  1  0  0  0
  9 12  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
PHOSPHONOTHREONINE

>  <PubChem CID>
10976469

>  <Formula>
C4H10NO6P

>  <Molecular Weight>
199.099000

>  <IUPAC Name>
(2R,3S)-2-amino-3-phosphonooxybutanoic acid

>  <XlogP>
-4.7

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m0/s1

>  <InChI Key>
USRGIUJOYOXOQJ-STHAYSLISA-N

