57339178
  -OEChem-04232413002D

 29 28  0     1  0  0  0  0  0999 V2000
    6.0010   -0.8770    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   -0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -1.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.3770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.9970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.3519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    1.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    0.5154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110    0.5260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 11  1  0  0  0  0
 10  3  1  1  0  0  0
  3 15  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  8 15  2  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57339178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
224

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAACBThgAcACABABxAIQAAAiIAAAAAAAAAAAIAAAAADEAAAAAAAQAABEAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] formate

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] formate

> <PUBCHEM_IUPAC_NAME>
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] formate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] methanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid [(1R)-1-[[2-aminoethoxy(hydroxy)phosphoryl]oxymethyl]-2-hydroxy-ethyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H14NO7P/c7-1-2-13-15(10,11)14-4-6(3-8)12-5-9/h5-6,8H,1-4,7H2,(H,10,11)/t6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MIVJYYBLTQGACL-ZCFIWIBFSA-N

> <PUBCHEM_XLOGP3_AA>
-5

> <PUBCHEM_EXACT_MASS>
243.05078878

> <PUBCHEM_MOLECULAR_FORMULA>
C6H14NO7P

> <PUBCHEM_MOLECULAR_WEIGHT>
243.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(COP(=O)(O)OCC(CO)OC=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(COP(=O)(O)OC[C@@H](CO)OC=O)N

> <PUBCHEM_CACTVS_TPSA>
128

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
243.05078878

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  3  5

$$$$