495479
  -OEChem-05201301272D

 41 43  0     1  0  0  0  0  0999 V2000
    6.6791   -2.8333    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    2.2455    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.2861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281   -2.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    1.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881   -3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881   -2.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0289    2.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7199    3.1966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -1.2371    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2601   -0.2861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9511   -1.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5202   -1.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3633   -2.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9881   -3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972   -2.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3379    3.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5289    3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    0.2664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6661   -1.8495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1398   -1.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064   -0.9322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    0.0770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    0.8697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617   -1.6817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988   -2.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8649   -2.4106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -0.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -0.7365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -1.5178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9438    4.2451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1140    4.2451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9043    2.9444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6479    3.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636   -3.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6072   -2.2964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9233   -4.4010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5946   -3.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 12 22  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
495479

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
302

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAMAAAAAAAAAAAAAAAAAASJEgAAAAAAAAAAAAAAAAAAAGgAAACAACBSggAICCAAABRAAAAAAAAAAAAAAAAAAAAAAAAARAAAAAAAiAAAFAAAGAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[5-(1,3,2-dioxaphospholan-2-yloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3,2-dioxaphospholane

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[5-(1,3,2-dioxaphospholan-2-yloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3,2-dioxaphospholane

> <PUBCHEM_IUPAC_NAME>
2-[[5-(1,3,2-dioxaphospholan-2-yloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3,2-dioxaphospholane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[5-(1,3,2-dioxaphospholan-2-yloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3,2-dioxaphospholane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[5-(1,3,2-dioxaphospholan-2-yloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-1,3,2-dioxaphospholane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H20O8P2/c1-11(2)18-9(7-16-20-12-3-4-13-20)10(19-11)8-17-21-14-5-6-15-21/h9-10H,3-8H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
GRZCTUNSZLHSDO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.2

> <PUBCHEM_EXACT_MASS>
342.063341

> <PUBCHEM_MOLECULAR_FORMULA>
C11H20O8P2

> <PUBCHEM_MOLECULAR_WEIGHT>
342.219224

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(OC(C(O1)COP2OCCO2)COP3OCCO3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(OC(C(O1)COP2OCCO2)COP3OCCO3)C

> <PUBCHEM_CACTVS_TPSA>
73.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.063341

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
11  14  3
12  15  3

$$$$