74162
  -OEChem-04252421242D

 26 25  0     0  0  0  0  0  0999 V2000
    4.5981   -0.2015    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.0675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -1.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -1.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.7985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.7985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081    1.2015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 26  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 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
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
74162

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
141

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAICAAAAARAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diisopropyl hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
dipropan-2-yl hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dipropan-2-yl hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
dipropan-2-yl hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dipropan-2-yl hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diisopropyl hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)

> <PUBCHEM_IUPAC_INCHIKEY>
WZPMZMCZAGFKOC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.1

> <PUBCHEM_EXACT_MASS>
182.07079595

> <PUBCHEM_MOLECULAR_FORMULA>
C6H15O4P

> <PUBCHEM_MOLECULAR_WEIGHT>
182.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)OP(=O)(O)OC(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)OP(=O)(O)OC(C)C

> <PUBCHEM_CACTVS_TPSA>
55.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.07079595

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$