5459862
  -OEChem-04252404072D

 19 18  0     1  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 11  1  0  0  0  0
  9  3  1  1  0  0  0
  3 18  1  0  0  0  0
 10  4  1  6  0  0  0
  4 19  1  0  0  0  0
  5 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  CHG  2   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
5459862

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
174

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIAAAAAAxAIQAgQgIIAAAAAAAAAAAFAAAABEBQAAAAAQAAFIAABAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3R)-2,3-dihydroxy-4-oxo-butyl] phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3R)-2,3-dihydroxy-4-oxobutyl] phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>R</I>)-2,3-dihydroxy-4-oxobutyl] phosphate

> <PUBCHEM_IUPAC_NAME>
[(2R,3R)-2,3-dihydroxy-4-oxobutyl] phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3R)-2,3-bis(oxidanyl)-4-oxidanylidene-butyl] phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3R)-2,3-dihydroxy-4-keto-butyl] phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/p-2/t3-,4+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NGHMDNPXVRFFGS-IUYQGCFVSA-L

> <PUBCHEM_XLOGP3_AA>
-3.5

> <PUBCHEM_EXACT_MASS>
197.99293956

> <PUBCHEM_MOLECULAR_FORMULA>
C4H7O7P-2

> <PUBCHEM_MOLECULAR_WEIGHT>
198.07

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@H]([C@H](C=O)O)O)OP(=O)([O-])[O-]

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.99293956

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
9  3  5
10  4  6

$$$$