9833984
  -OEChem-04262412082D

 16 15  0     1  0  0  0  0  0999 V2000
    6.0010    0.2500    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  6  2  1  6  0  0  0
  3 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
9833984

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
89.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBCMQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHQgQCCAACADJAAQAAABAABAAQAAAAIAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R)-3-amino-2-fluoro-propyl]-hydroxy-oxo-phosphonium

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R)-3-amino-2-fluoropropyl]-hydroxy-oxophosphonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-3-amino-2-fluoropropyl]-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_NAME>
[(2R)-3-amino-2-fluoropropyl]-hydroxy-oxophosphanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-3-azanyl-2-fluoranyl-propyl]-oxidanyl-oxidanylidene-phosphanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R)-3-amino-2-fluoro-propyl]-hydroxy-keto-phosphonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H7FNO2P/c4-3(1-5)2-8(6)7/h3H,1-2,5H2/p+1/t3-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
WVTGPBOMAQLPCP-GSVOUGTGSA-O

> <PUBCHEM_XLOGP3_AA>
-1.4

> <PUBCHEM_EXACT_MASS>
140.02766866

> <PUBCHEM_MOLECULAR_FORMULA>
C3H8FNO2P+

> <PUBCHEM_MOLECULAR_WEIGHT>
140.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(C[P+](=O)O)F)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@H](C[P+](=O)O)F)N

> <PUBCHEM_CACTVS_TPSA>
63.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
140.02766866

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
6  2  6

$$$$