71561911
  -OEChem-04192406262D

 48 48  0     1  0  0  0  0  0999 V2000
    6.8671    2.4050    0.0000 Si  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
    6.0010   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    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
    6.8671   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.5950    0.0000 C   0  0  1  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
    2.5369   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791    0.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776    1.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    1.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    0.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2471    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -2.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -1.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
 12  3  1  6  0  0  0
  3 16  1  0  0  0  0
 10  4  1  1  0  0  0
  4 34  1  0  0  0  0
 11  5  1  1  0  0  0
  5 35  1  0  0  0  0
  6 15  1  0  0  0  0
  6 45  1  0  0  0  0
  7 20  2  0  0  0  0
  9  8  1  6  0  0  0
  8 20  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 13  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  1  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71561911

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
348

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByOAgAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHhAQCAAACDzxoAdCCALABgEIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-trimethylsilylethoxy)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-trimethylsilylethoxy)-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-trimethylsilylethoxy)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-trimethylsilylethoxy)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-(2-trimethylsilylethoxy)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-methylol-2-(2-trimethylsilylethoxy)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H27NO6Si/c1-8(16)14-10-12(18)11(17)9(7-15)20-13(10)19-5-6-21(2,3)4/h9-13,15,17-18H,5-7H2,1-4H3,(H,14,16)/t9-,10-,11+,12-,13+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GMINWDHWQXKCRD-LBELIVKGSA-N

> <PUBCHEM_EXACT_MASS>
321.16076412

> <PUBCHEM_MOLECULAR_FORMULA>
C13H27NO6Si

> <PUBCHEM_MOLECULAR_WEIGHT>
321.44

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1OCC[Si](C)(C)C)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCC[Si](C)(C)C)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.16076412

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  5
12  3  6
10  4  5
11  5  5
9  8  6

$$$$