23342
  -OEChem-05102418332D

 24 23  0     0  0  0  0  0  0999 V2000
    3.4030   -0.4050    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.5699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    0.9980    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 10  1  0  0  0  0
  3 23  1  0  0  0  0
  4 24  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 12  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23342

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
203

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAAAADhgAYDAANAARAgQAAAIIAAAACAAAABAAAIAACCAAAACAAAAAAAAAIQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[amidino(methyl)amino]ethyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
FOIPWTMKYXWFGC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-2.5

> <PUBCHEM_EXACT_MASS>
197.05654287

> <PUBCHEM_MOLECULAR_FORMULA>
C4H12N3O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
197.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCOP(=O)(O)O)C(=N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCOP(=O)(O)O)C(=N)N

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.05654287

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$