93321
  -OEChem-05132417402D

 60 60  0     1  0  0  0  0  0999 V2000
    4.2690   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -4.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -4.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -3.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -3.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -2.7373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -3.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.2624    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -1.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.9276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -1.2373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -0.4276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    0.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    1.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    1.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    3.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    2.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -4.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    2.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    3.2627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    4.0473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5432    4.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    4.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1191    6.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7206    5.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072    5.6181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    6.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    6.6919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11  2  1  1  0  0  0
  2 13  1  0  0  0  0
  7  3  1  1  0  0  0
  3 46  1  0  0  0  0
  8  4  1  6  0  0  0
  4 47  1  0  0  0  0
  9  5  1  6  0  0  0
  5 48  1  0  0  0  0
  6 12  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  1  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
93321

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
301

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4KwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3R,4S,5S,6R)-2-lauryloxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PYIDGJJWBIBVIA-UYTYNIKBSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
348.25118886

> <PUBCHEM_MOLECULAR_FORMULA>
C18H36O6

> <PUBCHEM_MOLECULAR_WEIGHT>
348.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

> <PUBCHEM_CACTVS_TPSA>
99.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.25118886

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  5
11  2  5
7  3  5
8  4  6
9  5  6

$$$$