444848
  -OEChem-05261305022D

 29 29  0     1  0  0  0  0  0999 V2000
    6.8909   -1.8094    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    2.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -1.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.9475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -2.6184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   -1.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0819   -2.3972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -0.2959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208    1.2430    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -0.2959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    2.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734    0.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -1.3767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -1.7009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    2.6480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    2.3238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -1.6713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    2.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    2.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6351   -0.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0953   -2.5536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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 14  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
 13  5  1  1  0  0  0
  5 26  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  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
 14 15  1  6  0  0  0
 14 19  1  0  0  0  0
 15 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>
444848

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
290

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSggAIACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAAHAYAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)-2-oxolanyl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
[(2R,3S,4S,5S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R,3S,4S,5S)-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,4S,5S)-3,4,5-trihydroxy-5-methylol-tetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BGWGXPAPYGQALX-ZXXMMSQZSA-N

> <PUBCHEM_XLOGP3_AA>
-3.9

> <PUBCHEM_EXACT_MASS>
260.029719

> <PUBCHEM_MOLECULAR_FORMULA>
C6H13O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
260.135782

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)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>
4

> <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

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

$$$$