69935561
  -OEChem-04192400362D

 34 35  0     1  0  0  0  0  0999 V2000
    7.8854   -3.6046    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -1.2446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.0046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -0.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031   -2.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3031    2.5865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208    0.3432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298    0.9310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208    1.8820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    3.6046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -2.1956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -1.2446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7208   -2.1956    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2208   -0.6568    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3086   -3.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208    1.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8909   -3.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    2.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -2.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -2.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -0.3753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7514   -3.2764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -3.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -3.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    0.7394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3337   -3.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618   -4.3051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2499   -4.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1376   -3.0382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2663    4.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    3.6694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  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 26  1  0  0  0  0
 12  4  1  1  0  0  0
  4 27  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  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 19  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  6  0  0  0
 13 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 28  1  0  0  0  0
 17 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69935561

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAIAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHggYCAAQCBThgwYFEAZIFgAqAAMxNAAQgAsSgKAVQACIAACDWAIAiCAeQAAPCAITAADwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphinomethoxymethyl)-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>)-3,4-dihydroxy-5-(phosphanylmethoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphanylmethoxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H15N4O5P/c10-7(16)8-11-2-13(12-8)9-6(15)5(14)4(18-9)1-17-3-19/h2,4-6,9,14-15H,1,3,19H2,(H2,10,16)/t4-,5-,6-,9-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GJHAWPHIHIIZSL-MWKIOEHESA-N

> <PUBCHEM_XLOGP3>
-2.1

> <PUBCHEM_EXACT_MASS>
290.07800659

> <PUBCHEM_MOLECULAR_FORMULA>
C9H15N4O5P

> <PUBCHEM_MOLECULAR_WEIGHT>
290.21

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

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

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.07800659

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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

$$$$