
 CID 46197877

 33 33  0  0  0  0  0  0  0  0999 V2000
    3.8276   -1.9202   -2.9129 C   0  0  0  0  0
    4.8521   -2.2522   -3.9668 C   0  0  0  0  0
    4.4706   -3.5229   -4.4858 O   0  0  0  0  0
    3.6936   -4.1708   -3.5753 C   0  0  0  0  0
    3.3085   -5.3235   -3.7051 O   0  0  0  0  0
    3.3886   -3.2791   -2.4030 C   0  0  0  0  0
    1.9089   -3.2949   -2.0371 C   0  0  0  0  0
    1.3231   -4.8158   -1.2944 P   0  0  0  0  0
    2.2207   -5.3281   -0.2126 O   0  0  0  0  0
   -0.3775   -4.5459   -0.7874 C   0  0  0  0  0
   -1.3046   -4.1420   -1.9344 C   0  0  0  0  0
   -2.7761   -4.0279   -1.5169 C   0  0  0  0  0
   -2.9513   -2.8958   -0.5040 C   0  0  0  0  0
   -2.7031   -1.7127   -0.6949 O   0  0  0  0  0
   -3.4014   -3.3190    0.6934 O   0  0  0  0  0
   -3.6106   -3.7398   -2.7015 N   0  0  0  0  0
    1.1733   -5.8554   -2.5128 O   0  0  0  0  0
    4.2348   -1.2785   -2.1244 H   0  0  0  0  0
    2.9894   -1.3835   -3.3720 H   0  0  0  0  0
    5.8642   -2.3309   -3.5578 H   0  0  0  0  0
    4.8530   -1.5133   -4.7739 H   0  0  0  0  0
    4.0173   -3.6000   -1.5648 H   0  0  0  0  0
    1.2987   -3.0798   -2.9211 H   0  0  0  0  0
    1.7200   -2.4930   -1.3133 H   0  0  0  0  0
   -0.3797   -3.7762   -0.0080 H   0  0  0  0  0
   -0.7439   -5.4719   -0.3301 H   0  0  0  0  0
   -1.2150   -4.8846   -2.7366 H   0  0  0  0  0
   -0.9586   -3.1908   -2.3547 H   0  0  0  0  0
   -3.1198   -4.9679   -1.0744 H   0  0  0  0  0
   -3.5140   -2.4969    1.2142 H   0  0  0  0  0
   -3.4115   -4.4200   -3.4333 H   0  0  0  0  0
   -3.3490   -2.8265   -3.0780 H   0  0  0  0  0
    2.0253   -6.0681   -2.9728 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 33  1  0  0  0
M  END

>  <Chemical Name>
CID 46197877

>  <PubChem CID>
46197877

>  <Formula>
C9H16NO6P

>  <Molecular Weight>
265.202000

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

>  <XlogP>
-4.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COC(=O)C1CP(=O)(CCC(C(=O)O)N)O

>  <Isomeric SMILES>
C1COC(=O)C1CP(=O)(CC[C@@H](C(=O)O)N)O

>  <InChI Std. ID>
InChI=1S/C9H16NO6P/c10-7(8(11)12)2-4-17(14,15)5-6-1-3-16-9(6)13/h6-7H,1-5,10H2,(H,11,12)(H,14,15)/t6?,7-/m0/s1

>  <InChI Key>
SKGNYEKKZWGOBE-MLWJPKLSSA-N

