69936308
  -OEChem-05052408282D

 35 36  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
    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
    8.4732   -4.2599    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
    8.1376   -2.8845    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
    8.2210   -4.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898   -4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 19  1  0  0  0  0
  1 30  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
 11  3  1  1  0  0  0
  3 27  1  0  0  0  0
 12  4  1  1  0  0  0
  4 28  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
 14  7  1  6  0  0  0
  7 16  1  0  0  0  0
  8 17  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  6  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 31  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69936308

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAIAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHggYCCAQCBTpgwYFEAZIFwCqAAMzNAAQgAsSgKAdQACIAACDWAIAiCAeQAAPCAITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4S,5R)-5-(ethenylphosphinooxymethyl)-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-(ethenylphosphanyloxymethyl)-3,4-dihydroxyoxolan-2-yl]-1,2,4-triazole-3-carboxamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15N4O5P/c1-2-20-18-3-5-6(15)7(16)10(19-5)14-4-12-9(13-14)8(11)17/h2,4-7,10,15-16,20H,1,3H2,(H2,11,17)/t5-,6-,7-,10-,20?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RMFJZDPCYNXORZ-CBTAUJBWSA-N

> <PUBCHEM_XLOGP3>
-1.5

> <PUBCHEM_EXACT_MASS>
302.07800659

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15N4O5P

> <PUBCHEM_MOLECULAR_WEIGHT>
302.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CPOCC1C(C(C(O1)N2C=NC(=N2)C(=O)N)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CPOC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
302.07800659

> <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>
13  15  6
11  3  5
12  4  5
14  7  6
7  16  8
7  8  8
8  17  8
9  16  8
9  17  8

$$$$