
 dl-O-Phosphoserine

 19 18  0  0  0  0  0  0  0  0999 V2000
    1.3878   -0.6491    0.0285 C   0  0  0  0  0
    0.2942   -1.6573    0.3936 C   0  0  0  0  0
    0.3609   -2.8648   -0.5482 C   0  0  0  0  0
    0.5551   -2.8425   -1.7529 O   0  0  0  0  0
    0.0978   -4.0413    0.0690 O   0  0  0  0  0
    0.4091   -2.0756    1.8187 N   0  0  0  0  0
    2.6713   -1.1834    0.3410 O   0  0  0  0  0
    3.9494   -0.2556    0.0959 P   0  0  0  0  0
    5.2762   -0.8927    0.3206 O   0  0  0  0  0
    3.7880    0.3429   -1.3729 O   0  0  0  0  0
    3.7266    1.0238    1.0217 O   0  0  0  0  0
    1.3482   -0.4075   -1.0385 H   0  0  0  0  0
    1.2406    0.2753    0.5976 H   0  0  0  0  0
   -0.6931   -1.2051    0.2512 H   0  0  0  0  0
    0.1555   -4.7003   -0.6558 H   0  0  0  0  0
    1.3753   -2.3832    1.9593 H   0  0  0  0  0
   -0.1439   -2.9327    1.9190 H   0  0  0  0  0
    4.6510    0.6245   -1.7253 H   0  0  0  0  0
    4.1255    0.8853    1.9003 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  8  1  0  0  0
  8 11  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 11 19  1  0  0  0
M  END

>  <Chemical Name>
dl-O-Phosphoserine

>  <PubChem CID>
106

>  <Formula>
C3H8NO6P

>  <Molecular Weight>
185.072000

>  <IUPAC Name>
2-amino-3-phosphonooxypropanoic acid

>  <XlogP>
-5.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

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

>  <Isomeric SMILES>
C(C(C(=O)O)N)OP(=O)(O)O

>  <InChI Std. ID>
InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)

>  <InChI Key>
BZQFBWGGLXLEPQ-UHFFFAOYSA-N

