71175143
  -OEChem-04252408002D

 55 59  0     1  0  0  0  0  0999 V2000
    8.8448    2.8312    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.1918    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6268   -5.2023    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1757    3.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    3.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9828   -1.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1693    0.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3448    1.9652    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.2622    3.1676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3961    3.6676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3667    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7516    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3961    4.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5705   -0.6709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5651   -0.7754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    5.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   -1.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    4.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    3.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3840   -2.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3895   -2.3935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    5.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8394    2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8223   -3.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7643   -3.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    3.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2166   -4.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1806   -4.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5493    2.7047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1323    4.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7467    2.1731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3019    1.5565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1823    0.6057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2656    1.3984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9116    0.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0067    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6082    5.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7252   -0.5821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1666   -0.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218   -0.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    5.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316    5.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4025   -2.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4858   -1.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8049   -0.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    5.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    2.5130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396   -3.5006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4560    3.0006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485   -3.1547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284    3.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8143   -4.6816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  1 25  3  0  0  0  0
  2 28  1  0  0  0  0
  3 30  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6 15  1  0  0  0  0
  6 22  1  0  0  0  0
 13  7  1  1  0  0  0
  7 48  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  1  0  0  0
 10 14  1  0  0  0  0
 10 33  1  1  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 38  1  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  1  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 21  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 28  2  0  0  0  0
 23 49  1  0  0  0  0
 24 29  2  0  0  0  0
 24 50  1  0  0  0  0
 25 52  1  0  0  0  0
 26 30  2  0  0  0  0
 26 51  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
71175143

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
716

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OYIAAAAAAAAAAAAAAAAAAWAAAAA0aIEAAAAAAACRQAAAHwgAiCAADBThmA4wBoIABwCAAiBCAAACCAAgIAAIiAAOCIgPNiKEsRqGeCCmwBGbqAeQwPAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S)-1-[(2S)-6-fluorochroman-2-yl]-2-[(5R)-5-[(2R)-6-fluorochroman-2-yl]-2-methylidyne-1,3,2lambda5-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S)-1-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-[(5R)-5-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-methylidyne-1,3,2lambda5-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>)-1-[(2<I>S</I>)-6-fluoro-3,4-dihydro-2<I>H</I>-chromen-2-yl]-2-[(5<I>R</I>)-5-[(2<I>R</I>)-6-fluoro-3,4-dihydro-2<I>H</I>-chromen-2-yl]-2-methylidyne-1,3,2&lambda;<SUP>5</SUP>-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_NAME>
(1S)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[(5R)-5-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-methylidyne-1,3,2lambda5-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S)-1-[(2S)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-[(5R)-5-[(2R)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-methylidyne-1,3,2lambda5-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S)-1-[(2S)-6-fluorochroman-2-yl]-2-[(5R)-5-[(2R)-6-fluorochroman-2-yl]-2-methylidyne-1,3,2lambda5-oxazaphospholidin-3-yl]ethanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24F2NO4P/c1-31-26(12-18(27)21-6-2-14-10-16(24)4-8-19(14)28-21)13-23(30-31)22-7-3-15-11-17(25)5-9-20(15)29-22/h1,4-5,8-11,18,21-23,27H,2-3,6-7,12-13H2/t18-,21-,22+,23+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SHAUUUZHZHJTGA-XSEFMFLKSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
447.14110157

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24F2NO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
447.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C#P1N(CC(O1)C2CCC3=C(O2)C=CC(=C3)F)CC(C4CCC5=C(O4)C=CC(=C5)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C#P1N(C[C@@H](O1)[C@H]2CCC3=C(O2)C=CC(=C3)F)C[C@@H]([C@@H]4CCC5=C(O4)C=CC(=C5)F)O

> <PUBCHEM_CACTVS_TPSA>
51.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
447.14110157

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
10  33  5
15  41  5
19  20  8
19  23  8
20  24  8
21  22  8
21  26  8
22  27  8
23  28  8
24  29  8
26  30  8
27  31  8
28  29  8
30  31  8
13  7  5
9  32  5

$$$$