46931058
  -OEChem-04232419302D

 54 53  0     1  0  0  0  0  0999 V2000
   12.3923   -0.8450    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962   -0.8450    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8923    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8923   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    0.0210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1244   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -1.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.3701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273   -0.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3798    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2023    0.5580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0062   -2.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3195    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 20  1  0  0  0  0
  7 48  1  0  0  0  0
 23  8  1  1  0  0  0
  8 29  1  0  0  0  0
 24  9  1  6  0  0  0
  9 30  1  0  0  0  0
 10 27  1  0  0  0  0
 10 31  1  0  0  0  0
 11 28  1  0  0  0  0
 11 32  1  0  0  0  0
 12 49  1  0  0  0  0
 13 50  1  0  0  0  0
 16 29  2  0  0  0  0
 17 30  2  0  0  0  0
 18 31  2  0  0  0  0
 19 32  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 27  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 24 28  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46931058

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
602

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
17

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
22

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPgMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAAAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [(2R)-3-[[3-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-3-[[3-[[(2<I>R</I>)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] formate

> <PUBCHEM_IUPAC_NAME>
[(2R)-3-[[3-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-formyloxypropyl] formate

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H22O17P2/c14-7-23-3-12(25-9-16)5-29-31(19,20)27-1-11(18)2-28-32(21,22)30-6-13(26-10-17)4-24-8-15/h7-13,18H,1-6H2,(H,19,20)(H,21,22)/t12-,13-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
VCGDSYLTBQKCQN-CHWSQXEVSA-N

> <PUBCHEM_XLOGP3_AA>
-3.1

> <PUBCHEM_EXACT_MASS>
512.03322322

> <PUBCHEM_MOLECULAR_FORMULA>
C13H22O17P2

> <PUBCHEM_MOLECULAR_WEIGHT>
512.25

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

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

> <PUBCHEM_CACTVS_TPSA>
237

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
512.03322322

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
23  8  5
24  9  6

$$$$