92283
 OpenBabel05082101102D

 20 20  0  0  1  0  0  0  0  0999 V2000
    5.0298   -0.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086   -2.1407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.2071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.3807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -1.3317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    1.2071    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -1.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -0.8191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.2347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.8271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    1.3971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.7071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.3271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  3 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  6  0  0  0
  8  2  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  6  0  0  0
  9  3  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  6  0  0  0
 10  4  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  6  0  0  0
 12 18  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
92283

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
202

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAIAAiQiAIAAAAAAAAAAAFAAAABEBYAAAACQAAFIAADAAHKbARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-tetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde

>  <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxo-2-oxolanyl]-2-hydroxyacetaldehyde

>  <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>)-2-[(2<I>S</I>,3<I>R</I>,4<I>S</I>)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde

>  <PUBCHEM_IUPAC_NAME>
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2-[(2S,3R,4S)-3,4-bis(oxidanyl)-5-oxidanylidene-oxolan-2-yl]-2-oxidanyl-ethanal

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-keto-tetrahydrofuran-2-yl]-2-hydroxy-acetaldehyde

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H/t2-,3+,4-,5+/m0/s1

>  <PUBCHEM_IUPAC_INCHIKEY>
UYUXSRADSPPKRZ-SKNVOMKLSA-N

>  <PUBCHEM_XLOGP3_AA>
-1.8

>  <PUBCHEM_EXACT_MASS>
176.032088

>  <PUBCHEM_MOLECULAR_FORMULA>
C6H8O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
176.12

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

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

>  <PUBCHEM_CACTVS_TPSA>
104

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.032088

>  <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>
8  2  5
9  3  5
10  4  5
7  13  6

$$$$
