69936705
  -OEChem-04192420152D

 34 35  0     1  0  0  0  0  0999 V2000
    6.8909   -3.5554    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.4732   -4.2599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -2.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.7818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    2.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.4969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    1.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    2.0358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    3.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.0419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -1.0909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.0419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.5031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    1.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    2.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8854   -3.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -1.9449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.1227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.4469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.4173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.8931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6387   -4.1218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4427   -3.1791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7145   -2.8549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    4.2599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    3.8231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 20  1  0  0  0  0
  1 30  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
 12  4  1  1  0  0  0
  4 27  1  0  0  0  0
 13  5  1  1  0  0  0
  5 28  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  1  0  0  0  0
 15  8  1  6  0  0  0
  8 17  1  0  0  0  0
  9 18  2  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  6  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69936705

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
354

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuQIAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHwgYCCAQCBThgwYFEAZIFwAqAAMxNAAQgAsSgKAVQACIAACDWAIAiCAeQAAPCAITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(2R,3R,4S,5R)-5-(fluoromethylphosphanyloxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4S,5R)-5-(fluoromethylphosphinooxymethyl)-3,4-dihydroxy-2-oxolanyl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-5-(fluoromethylphosphanyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[(2R,3R,4S,5R)-5-(fluoromethylphosphanyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(2R,3R,4S,5R)-5-(fluoranylmethylphosphanyloxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(2R,3R,4S,5R)-5-(fluoromethylphosphinooxymethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14FN4O5P/c10-2-20-18-1-4-5(15)6(16)9(19-4)14-3-12-8(13-14)7(11)17/h3-6,9,15-16,20H,1-2H2,(H2,11,17)/t4-,5-,6-,9-,20?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DHXMYQDCBUEUOI-FUCPYMOESA-N

> <PUBCHEM_XLOGP3>
-1.5

> <PUBCHEM_EXACT_MASS>
308.06858472

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14FN4O5P

> <PUBCHEM_MOLECULAR_WEIGHT>
308.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=NN1C2C(C(C(O2)COPCF)O)O)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COPCF)O)O)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.06858472

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  17  8
10  18  8
14  16  6
12  4  5
13  5  5
15  8  6
8  17  8
8  9  8
9  18  8

$$$$