103023
  -OEChem-05052403052D

 23 23  0     1  0  0  0  0  0999 V2000
    5.0298   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    1.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    2.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.0521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4118   -0.5357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7208   -1.4867    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2208    1.0521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7208   -1.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868    1.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7732    0.3336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.3897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -2.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273   -1.6156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    0.9695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    1.6598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3548    2.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6238    2.8621    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
  7  2  1  6  0  0  0
  2 20  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  4  9  1  0  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  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
103023

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
128

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAIAAAACQAAFAAADAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S)-2-(1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-2-(1,2-dihydroxyethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>)-2-(1,2-dihydroxyethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_NAME>
(3S)-2-(1,2-dihydroxyethyl)oxolane-3,4-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S)-2-[1,2-bis(oxidanyl)ethyl]oxolane-3,4-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S)-2-(1,2-dihydroxyethyl)tetrahydrofuran-3,4-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H12O5/c7-1-3(8)6-5(10)4(9)2-11-6/h3-10H,1-2H2/t3?,4?,5-,6?/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JNYAEWCLZODPBN-CTQIIAAMSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
164.06847348

> <PUBCHEM_MOLECULAR_FORMULA>
C6H12O5

> <PUBCHEM_MOLECULAR_WEIGHT>
164.16

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C([C@@H](C(O1)C(CO)O)O)O

> <PUBCHEM_CACTVS_TPSA>
90.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
164.06847348

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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  1  3
7  2  6
8  3  3
9  4  3

$$$$