65127
  -OEChem-04252409222D

 29 29  0     1  0  0  0  0  0999 V2000
    2.8660    1.8450    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -1.6550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -1.1550    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -0.1550    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860    2.7110    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
 11  3  1  6  0  0  0
  3 24  1  0  0  0  0
 12  4  1  1  0  0  0
  4 25  1  0  0  0  0
 14  5  1  1  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 28  1  0  0  0  0
  9 29  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  1  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>
65127

> <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>
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl dihydrogen phosphate

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,4S,5S)-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)/t2-,3-,4+,5+,6?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NBSCHQHZLSJFNQ-QTVWNMPRSA-N

> <PUBCHEM_XLOGP3_AA>
-4.2

> <PUBCHEM_EXACT_MASS>
260.02971899

> <PUBCHEM_MOLECULAR_FORMULA>
C6H13O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
260.14

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
157

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.02971899

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
13  16  5
11  3  6
12  4  5
14  5  5
15  6  3

$$$$