64953
  -OEChem-05082423032D

 35 33  0     1  0  0  0  0  0999 V2000
    3.7326    1.0000    0.0000 Sb  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5986    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8671    5.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1350    5.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7331    4.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2690    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    4.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.3350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    5.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    5.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4040    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    5.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    4.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  2  0  0  0  0
 11  2  1  6  0  0  0
  2 26  1  0  0  0  0
 12  3  1  6  0  0  0
  3 27  1  0  0  0  0
 13  4  1  6  0  0  0
  4 29  1  0  0  0  0
 14  5  1  1  0  0  0
  5 30  1  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  7 35  1  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
64953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
180

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBiPAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACBThgAYCAALAAgAAAAAAAAAAAAAAAAAAAIAIAAADEAIAgAAEQAAHEAARAAHwcAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydroxy(dioxo)-lambda5-stibane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

> <PUBCHEM_IUPAC_CAS_NAME>
hydroxy(dioxo)stiborane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydroxy(dioxo)-&lambda;<SUP>5</SUP>-stibane;(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>)-6-(methylamino)hexane-1,2,3,4,5-pentol

> <PUBCHEM_IUPAC_NAME>
hydroxy(dioxo)-lambda5-stibane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;oxidanyl-bis(oxidanylidene)-lambda5-stibane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hydroxy(diketo)stiborane;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H17NO5.H2O.2O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;/h4-13H,2-3H2,1H3;1H2;;;/q;;;;+1/p-1/t4-,5+,6+,7+;;;;/m0..../s1

> <PUBCHEM_IUPAC_INCHIKEY>
XOGYVDXPYVPAAQ-SESJOKTNSA-M

> <PUBCHEM_EXACT_MASS>
365.00705

> <PUBCHEM_MOLECULAR_FORMULA>
C7H18NO8Sb

> <PUBCHEM_MOLECULAR_WEIGHT>
365.98

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC(C(C(C(CO)O)O)O)O.O[Sb](=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.O[Sb](=O)=O

> <PUBCHEM_CACTVS_TPSA>
168

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.00705

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  2  6
12  3  6
13  4  6
14  5  5

$$$$