191190
  -OEChem-05302104212D

 18 18  0     1  0  0  0  0  0999 V2000
    4.5576   -1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4699    1.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454    1.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3177   -0.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576    0.5272    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7486   -0.4239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0576    0.5272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7976   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    0.4302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6516   -1.0362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762    1.0796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -0.1189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1779   -0.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2620    1.2714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  6  0  0  0
  2 16  1  0  0  0  0
  8  3  1  1  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  2  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  1  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
  9 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
191190

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIACAAABgAIAACQCAIAAAAAAAAAAAFAAAABEBYAAAACQAAFIAADAADKJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>R</I>,4<I>R</I>,5<I>S</I>)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

> <PUBCHEM_IUPAC_NAME>
(3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3R,4R,5S)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R,4R,5S)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2/t2-,3-,4+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CUOKHACJLGPRHD-YVZJFKFKSA-N

> <PUBCHEM_XLOGP3_AA>
-1.4

> <PUBCHEM_EXACT_MASS>
148.03717335

> <PUBCHEM_MOLECULAR_FORMULA>
C5H8O5

> <PUBCHEM_MOLECULAR_WEIGHT>
148.11

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

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

> <PUBCHEM_CACTVS_TPSA>
87

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
148.03717335

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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
8  3  5
7  9  5

$$$$
