70627256
  -OEChem-04182409582D

 31 31  0     1  0  0  0  0  0999 V2000
    6.6676    3.6034    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    2.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    0.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4608    2.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    0.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3031    6.1872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2208    3.9438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0298    4.5316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    5.4827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019    7.2052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7208    1.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4118    2.3561    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7208    1.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2208    2.9438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3086    0.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    4.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7208    5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3086    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1085    1.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3148    2.9684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3332    1.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732    3.2253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514    0.3242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4795    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852    0.0296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8222    4.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6676    0.1989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663    7.7068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2853    7.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6676    3.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  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 25  1  0  0  0  0
  5 15  1  0  0  0  0
  5 28  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 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  6  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70627256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
304

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAAEAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAABgAAAHgAYCAAACBThgwYFEAZIFgAqAAMxNAAQgAsSgKAVQACIAACDWAIAiCAeQAAPCAITAADwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <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-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;hydrochloride

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H12N4O5.ClH/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8;/h2-5,8,13-15H,1H2,(H2,9,16);1H/t3-,4-,5-,8-;/m1./s1

> <PUBCHEM_IUPAC_INCHIKEY>
KAUZKNUXLJKARV-UHSSARMYSA-N

> <PUBCHEM_EXACT_MASS>
280.0574472

> <PUBCHEM_MOLECULAR_FORMULA>
C8H13ClN4O5

> <PUBCHEM_MOLECULAR_WEIGHT>
280.66

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N.Cl

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

> <PUBCHEM_CACTVS_TPSA>
144

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.0574472

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
2

> <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

$$$$