70675689
  -OEChem-04252413392D

 45 43  0     1  0  0  0  0  0999 V2000
    7.5388    7.3100    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    2.3426    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388    6.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6728    7.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6728    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    7.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694   10.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    1.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4766    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2087    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4766    2.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2087    2.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6106    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6728    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8067    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    2.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528    4.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5513    4.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7287    6.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2698    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3063   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2325   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7694    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17  3  1  1  0  0  0
  3 19  1  0  0  0  0
 13  4  1  1  0  0  0
  4 34  1  0  0  0  0
 14  5  1  1  0  0  0
  5 35  1  0  0  0  0
 15  6  1  6  0  0  0
  6 36  1  0  0  0  0
  7 18  1  0  0  0  0
  7 41  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 23  2  0  0  0  0
 11 24  2  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  1  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
M  CHG  3   1   2   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70675689

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
361

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByPAAAAAAAAAAABAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAQCAAADRSwgAMACAAABgAIAACQCAAAAAAAAAAAAAEAAAAREBYIAAAiQAAFIAAHAAHIZAwMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;platinum(2+);2-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypropyl]propanedioate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;platinum(2+);2-[3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propyl]propanedioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;platinum(2+);2-[3-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioate

> <PUBCHEM_IUPAC_NAME>
azane;platinum(2+);2-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;2-[3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropyl]propanedioate;platinum(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;platinum(2+);2-[3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxypropyl]malonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H20O10.H3N.Pt/c13-4-6-7(14)8(15)9(16)12(22-6)21-3-1-2-5(10(17)18)11(19)20;;/h5-9,12-16H,1-4H2,(H,17,18)(H,19,20);1H3;/q;;+2/p-2/t6-,7+,8+,9-,12-;;/m1../s1

> <PUBCHEM_IUPAC_INCHIKEY>
DSQLWMGDWHVLGG-BYIKQDLPSA-L

> <PUBCHEM_EXACT_MASS>
534.081340

> <PUBCHEM_MOLECULAR_FORMULA>
C12H21NO10Pt

> <PUBCHEM_MOLECULAR_WEIGHT>
534.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CC(C(=O)[O-])C(=O)[O-])COC1C(C(C(C(O1)CO)O)O)O.N.[Pt+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CC(C(=O)[O-])C(=O)[O-])CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O.N.[Pt+2]

> <PUBCHEM_CACTVS_TPSA>
181

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
534.081340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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

> <PUBCHEM_BONDANNOTATIONS>
16  18  5
17  3  5
13  4  5
14  5  5
15  6  6

$$$$