439764
  -OEChem-05302104232D

 20 20  0     1  0  0  0  0  0999 V2000
    5.1350   -0.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    0.6550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.8450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.1550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.8200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  6  0  0  0
  2 17  1  0  0  0  0
  7  3  1  1  0  0  0
  3 18  1  0  0  0  0
  8  4  1  6  0  0  0
  4 19  1  0  0  0  0
  9  5  1  1  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
439764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
117

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3R,4S,5S)-oxane-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5S)-tetrahydropyran-2,3,4,5-tetrol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SRBFZHDQGSBBOR-KLVWXMOXSA-N

> <PUBCHEM_XLOGP3_AA>
-2.5

> <PUBCHEM_EXACT_MASS>
150.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
150.13

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

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

> <PUBCHEM_CACTVS_TPSA>
90.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
150.05282342

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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>
6  2  6
7  3  5
8  4  6
9  5  5

$$$$
