208
  -OEChem-05251300302D

 29 29  0     1  0  0  0  0  0999 V2000
    6.8671    1.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    2.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.6550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -1.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471    2.7110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 11  1  0  0  0  0
  3 24  1  0  0  0  0
  4 12  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7 16  1  0  0  0  0
  8 29  1  0  0  0  0
  9 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
208

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
277

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAACCAACBSwgAMACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
(3,4,5,6-tetrahydroxy-2-oxanyl)methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)

> <PUBCHEM_IUPAC_INCHIKEY>
NBSCHQHZLSJFNQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-4.2

> <PUBCHEM_EXACT_MASS>
260.029719

> <PUBCHEM_MOLECULAR_FORMULA>
C6H13O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
260.135782

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.029719

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <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  16  3
11  3  3
12  4  3
14  5  3
15  6  3

$$$$