62142
  -OEChem-05221313132D

 54 54  0     1  0  0  0  0  0999 V2000
    4.2690   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -3.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    5.9419    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 40  1  0  0  0  0
  8  4  1  6  0  0  0
  4 41  1  0  0  0  0
  9  5  1  6  0  0  0
  5 42  1  0  0  0  0
  6 12  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  1  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62142

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4KwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H32O6/c1-2-3-4-5-6-7-8-9-10-21-16-15(20)14(19)13(18)12(11-17)22-16/h12-20H,2-11H2,1H3/t12-,13-,14+,15-,16-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JDRSMPFHFNXQRB-IBEHDNSVSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
320.219889

> <PUBCHEM_MOLECULAR_FORMULA>
C16H32O6

> <PUBCHEM_MOLECULAR_WEIGHT>
320.42168

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O

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

> <PUBCHEM_CACTVS_TPSA>
99.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
320.219889

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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

$$$$