92007
  -OEChem-05082413332D

 36 35  0     1  0  0  0  0  0999 V2000
    6.0010    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1972    0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2656    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4685    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3 32  1  0  0  0  0
  4 13  1  0  0  0  0
  4 33  1  0  0  0  0
  5 14  1  0  0  0  0
  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
  6 35  1  0  0  0  0
  7 16  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
92007

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
139

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAIAAAAABgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAACQAABAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]propane-1,2-diol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

> <PUBCHEM_IUPAC_NAME>
3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,2-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[3-[2,3-bis(oxidanyl)propoxy]-2-oxidanyl-propoxy]propane-1,2-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(3-glyceryloxy-2-hydroxy-propoxy)propane-1,2-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H20O7/c10-1-7(12)3-15-5-9(14)6-16-4-8(13)2-11/h7-14H,1-6H2

> <PUBCHEM_IUPAC_INCHIKEY>
AGNTUZCMJBTHOG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-3.3

> <PUBCHEM_EXACT_MASS>
240.12090297

> <PUBCHEM_MOLECULAR_FORMULA>
C9H20O7

> <PUBCHEM_MOLECULAR_WEIGHT>
240.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C(COCC(COCC(CO)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C(COCC(COCC(CO)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
240.12090297

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
13  4  3
14  5  3

$$$$