46873832
  -OEChem-05072407272D

 39 38  0     1  0  0  0  0  0999 V2000
    8.5991   -0.8450    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.3450    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
   12.0632    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1972   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8450    0.0000 C   0  0  0  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
   11.1972    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -1.3200    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
   10.9851    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5866    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4091    0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130   -2.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16  6  1  1  0  0  0
  6 34  1  0  0  0  0
 17  7  1  1  0  0  0
  7 22  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  1  0  0  0  0
  9 35  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 14 22  2  0  0  0  0
 15 23  2  0  0  0  0
 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46873832

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
447

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAAAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-2-formyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] formate

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [(2R)-2-formyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-2-formyloxy-3-[hydroxy-[(2<I>S</I>)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] formate

> <PUBCHEM_IUPAC_NAME>
[(2R)-2-formyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] formate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-2-methanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] methanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid [(2R)-2-formyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H16O13P2/c9-5-17-3-8(18-6-10)4-21-23(15,16)20-2-7(11)1-19-22(12,13)14/h5-8,11H,1-4H2,(H,15,16)(H2,12,13,14)/t7-,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ZSPJCYNIVYENCI-JGVFFNPUSA-N

> <PUBCHEM_XLOGP3_AA>
-3.5

> <PUBCHEM_EXACT_MASS>
382.00661456

> <PUBCHEM_MOLECULAR_FORMULA>
C8H16O13P2

> <PUBCHEM_MOLECULAR_WEIGHT>
382.15

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H](COP(=O)(O)OC[C@@H](COC=O)OC=O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
195

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
382.00661456

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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>
16  6  5
17  7  5

$$$$