24540
 OpenBabel05082101102D

 16 13  0  0  0  0  0  0  0  0999 V2000
    3.9399    0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4399    1.7320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.4399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.4030    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2084    4.2690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3429    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    2.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7453    4.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6714    3.9590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8984    4.8059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5184    3.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
M  CHG  4   3  -1   4  -1   6   1   7   1
M  END
>  <PUBCHEM_COMPOUND_CID>
24540

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
46.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCCAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
diammonium;hydrogen phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
diammonium;hydrogen phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
diazanium;hydrogen phosphate

>  <PUBCHEM_IUPAC_NAME>
diazanium;hydrogen phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diazanium;hydrogen phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diammonium;hydrogen phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2H3N.H3O4P/c;;1-5(2,3)4/h2*1H3;(H3,1,2,3,4)

>  <PUBCHEM_IUPAC_INCHIKEY>
MNNHAPBLZZVQHP-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
132.029994

>  <PUBCHEM_MOLECULAR_FORMULA>
H9N2O4P

>  <PUBCHEM_MOLECULAR_WEIGHT>
132.06

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[NH4+].[NH4+].OP(=O)([O-])[O-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[NH4+].[NH4+].OP(=O)([O-])[O-]

>  <PUBCHEM_CACTVS_TPSA>
85.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
132.029994

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
