439709
  -OEChem-05302104232D

 24 24  0     1  0  0  0  0  0999 V2000
    5.0298    0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.1816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2208    0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8086    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    1.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6676   -1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  7  2  1  6  0  0  0
  2 20  1  0  0  0  0
  8  3  1  6  0  0  0
  3 21  1  0  0  0  0
  9  4  1  1  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 23  1  0  0  0  0
  6 12  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  6  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
439709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
162

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R,3S,4S,5R)-2,5-dimethyloltetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RFSUNEUAIZKAJO-ARQDHWQXSA-N

> <PUBCHEM_XLOGP3_AA>
-2.3

> <PUBCHEM_EXACT_MASS>
180.06338810

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12O6

> <PUBCHEM_MOLECULAR_WEIGHT>
180.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(O1)(CO)O)O)O)O

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

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
180.06338810

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$
