70675687
  -OEChem-04262401542D

 46 43  0     1  0  0  0  0  0999 V2000
    8.0146    7.8100    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    5.4165    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8806    7.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1486    7.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7466    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    5.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4102   10.4300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4165    1.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5505    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2825    1.8100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5505    2.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2825    2.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6844    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8806    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    6.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5505    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    3.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4724    2.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6855    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    4.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2266    4.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6252    4.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    5.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9472   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8733   10.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4102    9.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18  3  1  1  0  0  0
  3 20  1  0  0  0  0
 14  4  1  1  0  0  0
  4 32  1  0  0  0  0
 15  5  1  1  0  0  0
  5 33  1  0  0  0  0
 16  6  1  6  0  0  0
  6 34  1  0  0  0  0
  7 19  1  0  0  0  0
  7 40  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 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 26  1  0  0  0  0
 16 18  1  0  0  0  0
 16 27  1  0  0  0  0
 17 19  1  1  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
M  CHG  3   1   2   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70675687

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
347

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzPAAAAAAAAAAABAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAQCAAADRSwgAMACAAABgAIAACQCAAAAAAAAAAAAAEAAAAREBYIAAAiQAAFIAAHAAHCYAwIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;platinum(2+);2-[2-[(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]oxyethyl]propanedioate

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H18O10.2H3N.Pt/c12-3-5-6(13)7(14)8(15)11(21-5)20-2-1-4(9(16)17)10(18)19;;;/h4-8,11-15H,1-3H2,(H,16,17)(H,18,19);2*1H3;/q;;;+2/p-2/t5-,6+,7+,8-,11-;;;/m1.../s1

> <PUBCHEM_IUPAC_INCHIKEY>
BVJNSZFQACDRNT-DHLCFCEZSA-L

> <PUBCHEM_EXACT_MASS>
537.092239

> <PUBCHEM_MOLECULAR_FORMULA>
C11H22N2O10Pt

> <PUBCHEM_MOLECULAR_WEIGHT>
537.38

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

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

> <PUBCHEM_CACTVS_TPSA>
182

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
537.092239

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  19  5
18  3  5
14  4  5
15  5  5
16  6  6

$$$$