53356734
  -OEChem-05092414192D

 32 31  0     1  0  0  0  0  0999 V2000
    6.8671    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11  4  1  6  0  0  0
  4 28  1  0  0  0  0
  5 12  1  0  0  0  0
  5 29  1  0  0  0  0
  6 15  1  0  0  0  0
  6 17  1  0  0  0  0
  7 30  1  0  0  0  0
  8 16  1  0  0  0  0
  8 31  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53356734

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
258

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAQAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxy-propyl] formate

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] formate

> <PUBCHEM_IUPAC_NAME>
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] formate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-3-[2,3-bis(oxidanyl)propoxy-oxidanyl-phosphoryl]oxy-2-oxidanyl-propyl] methanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid [(2R)-3-[glyceryloxy(hydroxy)phosphoryl]oxy-2-hydroxy-propyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H15O9P/c8-1-6(10)3-15-17(12,13)16-4-7(11)2-14-5-9/h5-8,10-11H,1-4H2,(H,12,13)/t6?,7-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NYPAQEAQEOGEDF-COBSHVIPSA-N

> <PUBCHEM_XLOGP3_AA>
-3

> <PUBCHEM_EXACT_MASS>
274.04536905

> <PUBCHEM_MOLECULAR_FORMULA>
C7H15O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
274.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(COP(=O)(O)OCC(COC=O)O)O)O

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

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.04536905

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  4  6
12  5  3

$$$$