2724705
  -OEChem-05072416022D

 21 22  0     1  0  0  0  0  0999 V2000
    4.9869    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    0.5796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2786   -1.7425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0746    1.5653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647    0.1225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2437   -0.7431    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4146   -0.1839    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    0.7773    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7235    1.0885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8636   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2447   -0.6985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -1.0437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9612    0.2389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    0.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9435    1.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6687   -0.9748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4576   -0.5641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7528   -2.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4606    1.4790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  7  3  1  1  0  0  0
  3 19  1  0  0  0  0
  8  4  1  6  0  0  0
  4 20  1  0  0  0  0
  9  5  1  1  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  6  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2724705

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
161

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAkAAAABIAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME>
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TWNIBLMWSKIRAT-VFUOTHLCSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
162.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C6H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
162.14

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C(C(O1)O2)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O

> <PUBCHEM_CACTVS_TPSA>
79.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
162.05282342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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  16  6
7  3  5
8  4  6
9  5  5
6  12  5

$$$$