4643300
  -OEChem-05042405172D

 15 14  0     0  0  0  0  0  0999 V2000
    2.8660   -0.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 15  1  0  0  0  0
  4  9  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  CHG  2   5  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
4643300

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
147

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACASggAIAAAAAAxAIQIAQAIIAAAAAAAAAAABAAAAAEAAAAAAAQAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-hydroxy-2-oxo-propyl) phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
(3-hydroxy-2-oxopropyl) phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-hydroxy-2-oxopropyl) phosphate

> <PUBCHEM_IUPAC_NAME>
(3-hydroxy-2-oxopropyl) phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-oxidanyl-2-oxidanylidene-propyl) phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-hydroxy-2-keto-propyl) phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
GNGACRATGGDKBX-UHFFFAOYSA-L

> <PUBCHEM_XLOGP3_AA>
-2.6

> <PUBCHEM_EXACT_MASS>
167.98237487

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5O6P-2

> <PUBCHEM_MOLECULAR_WEIGHT>
168.04

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(=O)COP(=O)([O-])[O-])O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(=O)COP(=O)([O-])[O-])O

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
167.98237487

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$