440101
  -OEChem-05302104232D

 25 25  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
    7.0868   -1.9349    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
    4.0310    1.1123    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
    5.4990   -1.1259    0.0000 C   0  0  2  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
    6.4990   -1.1259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8080   -0.1748    0.0000 C   0  0  2  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
    5.7805   -1.6783    0.0000 H   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
    7.1114   -1.0289    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
    7.7034   -1.8701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8880    0.7406    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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 11  1  0  0  0  0
  2 13  1  0  0  0  0
 10  3  1  6  0  0  0
  3 21  1  0  0  0  0
 12  4  1  6  0  0  0
  4 22  1  0  0  0  0
 13  5  1  6  0  0  0
  5 23  1  0  0  0  0
  6 14  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  1  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
440101

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
238

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPAIAAAAAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAACBSwgAMACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAACQAAFAAAHAADAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KTVPXOYAKDPRHY-AIHAYLRMSA-N

> <PUBCHEM_XLOGP3_AA>
-3.6

> <PUBCHEM_EXACT_MASS>
230.01915430

> <PUBCHEM_MOLECULAR_FORMULA>
C5H11O8P

> <PUBCHEM_MOLECULAR_WEIGHT>
230.11

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

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

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.01915430

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
11  14  5
10  3  6
12  4  6
13  5  6

$$$$
