46931055
  -OEChem-05142406192D

 34 33  0     1  0  0  0  0  0999 V2000
    6.8671   -0.8450    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771    0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.4650    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 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 14  1  0  0  0  0
  5 30  1  0  0  0  0
  6 16  1  0  0  0  0
  6 19  1  0  0  0  0
  7 31  1  0  0  0  0
  8 17  1  0  0  0  0
  8 32  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  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 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46931055

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
308

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAQAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15O10P/c9-1-7(12)2-17-19(13,14)18-4-8(16-6-11)3-15-5-10/h5-9,12H,1-4H2,(H,13,14)

> <PUBCHEM_IUPAC_INCHIKEY>
UCCRSWXULRWPDX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.4

> <PUBCHEM_EXACT_MASS>
302.04028367

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15O10P

> <PUBCHEM_MOLECULAR_WEIGHT>
302.17

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(COP(=O)(O)OCC(COC=O)OC=O)O)O

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.04028367

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
12  16  3
14  5  3

$$$$