56951723
  -OEChem-05042406192D

 38 37  0     1  0  0  0  0  0999 V2000
    7.1962    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0062    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.3100    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  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  8 34  1  0  0  0  0
 10 20  2  0  0  0  0
 11 21  2  0  0  0  0
 12 22  2  0  0  0  0
 13 23  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  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 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56951723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
379

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABRAIQAAAiIAAAAAAAAAAAAAAAAABAAAAAAAAAAABAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15O12P/c11-5-17-1-9(19-7-13)3-21-23(15,16)22-4-10(20-8-14)2-18-6-12/h5-10H,1-4H2,(H,15,16)

> <PUBCHEM_IUPAC_INCHIKEY>
OTYPKFYVKMAHQN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.3

> <PUBCHEM_EXACT_MASS>
358.03011291

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15O12P

> <PUBCHEM_MOLECULAR_WEIGHT>
358.19

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

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

> <PUBCHEM_CACTVS_TPSA>
161

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.03011291

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
14  18  3
15  19  3

$$$$