25163997
  -OEChem-05082418452D

 21 20  0     1  0  0  0  0  0999 V2000
    3.4030   -0.4720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.3940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.3380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0280    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656   -0.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.9310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -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
  9  3  1  6  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  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 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25163997

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
174

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAMACAAABxAIQAAAiIAAAAAAAAAAAAAAAAABEAAAAAAAAAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-2-hydroxy-3-phosphonooxy-propyl] formate

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [(2R)-2-hydroxy-3-phosphonooxypropyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-2-hydroxy-3-phosphonooxypropyl] formate

> <PUBCHEM_IUPAC_NAME>
[(2R)-2-hydroxy-3-phosphonooxypropyl] formate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-2-oxidanyl-3-phosphonooxy-propyl] methanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid [(2R)-2-hydroxy-3-phosphonooxy-propyl] ester

> <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)/t4-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FIZSCSXWOJBHKQ-SCSAIBSYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.3

> <PUBCHEM_EXACT_MASS>
200.00858962

> <PUBCHEM_MOLECULAR_FORMULA>
C4H9O7P

> <PUBCHEM_MOLECULAR_WEIGHT>
200.08

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

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

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
200.00858962

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
9  3  6

$$$$