71627299
  -OEChem-05142401122D

 19 18  0     1  0  0  0  0  0999 V2000
    2.8660   -0.4720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9720    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.3940    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0280    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0920    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 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 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 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 19  1  0  0  0  0
M  CHG  2   5  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71627299

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
163

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAAAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(3-formyloxy-2-hydroxypropyl) phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-formyloxy-2-hydroxypropyl) phosphate

> <PUBCHEM_IUPAC_NAME>
(3-formyloxy-2-hydroxypropyl) phosphate

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H9O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3-4,6H,1-2H2,(H2,7,8,9)/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FIZSCSXWOJBHKQ-UHFFFAOYSA-L

> <PUBCHEM_XLOGP3_AA>
-2.4

> <PUBCHEM_EXACT_MASS>
197.99293956

> <PUBCHEM_MOLECULAR_FORMULA>
C4H7O7P-2

> <PUBCHEM_MOLECULAR_WEIGHT>
198.07

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

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

> <PUBCHEM_CACTVS_TPSA>
119

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.99293956

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
9  3  3

$$$$