45934311
  -OEChem-05302104312D

 24 24  0     1  0  0  0  0  0999 V2000
    3.0800    1.4213    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.9990    0.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9112   -1.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310    1.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7591    0.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289    1.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890    2.3724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7709    0.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900   -0.1748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4990   -1.1259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4990   -1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8080   -0.1748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2389    0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0930    0.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7805   -1.6783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342   -1.7425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1054   -1.2548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050    0.4375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    0.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1526   -0.4798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1634   -2.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2198   -0.2807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    2.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
 10  3  1  6  0  0  0
  3 21  1  0  0  0  0
  4 13  1  0  0  0  0
 12  5  1  1  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
45934311

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
213

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOAIAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSwgAMACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2R,3S,5R)-3,5-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(2R,3S,5R)-3,5-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KKZFLSZAWCYPOC-VPENINKCSA-N

> <PUBCHEM_XLOGP3_AA>
-2.6

> <PUBCHEM_EXACT_MASS>
214.02423968

> <PUBCHEM_MOLECULAR_FORMULA>
C5H11O7P

> <PUBCHEM_MOLECULAR_WEIGHT>
214.11

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC1O)COP(=O)(O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
214.02423968

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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>
10  3  6
12  5  5
9  13  5

$$$$
