5779
  -OEChem-04242407162D

 20 20  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
    3.4698   -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
    6.3177    0.7329    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
    4.0576   -0.5272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7486    0.4239    0.0000 C   0  0  1  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
    5.3667    0.4239    0.0000 C   0  0  3  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
    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
    5.8051   -0.0145    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
    2.7113    0.1189    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
    6.4466    1.3393    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  9  1  0  0  0  0
  6  2  1  6  0  0  0
  2 17  1  0  0  0  0
  8  3  1  6  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  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 10  1  1  0  0  0
  7 12  1  0  0  0  0
  8  9  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>
5779

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
117

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAAAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HMFHBZSHGGEWLO-SOOFDHNKSA-N

> <PUBCHEM_XLOGP3_AA>
-2

> <PUBCHEM_EXACT_MASS>
150.05282342

> <PUBCHEM_MOLECULAR_FORMULA>
C5H10O5

> <PUBCHEM_MOLECULAR_WEIGHT>
150.13

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@H](C(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>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  6
9  4  3
7  10  5

$$$$