446561
  -OEChem-10101305032D

 30 31  0     1  0  0  0  0  0999 V2000
    5.4897    2.5214    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.0298   -0.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330    0.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9019    1.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9809   -1.8278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -3.8968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    3.3304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806    3.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2987    1.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -2.1368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -3.0878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2208   -1.5490    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4118   -0.9612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7208   -0.0101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7208   -0.0101    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0298   -2.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3086    0.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -3.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -1.5736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3332   -0.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222   -1.9452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7393    0.3529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8226    1.1456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852   -3.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852    1.3653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8253    3.8968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7454    3.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
 13  2  1  1  0  0  0
  2 16  1  0  0  0  0
 14  3  1  6  0  0  0
  3 27  1  0  0  0  0
 15  4  1  6  0  0  0
  4 28  1  0  0  0  0
  5 18  1  0  0  0  0
  6 17  2  0  0  0  0
  7 19  2  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 23  1  0  0  0  0
 12 17  1  0  0  0  0
 12 19  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  1  0  0  0
 16 22  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
446561

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
464

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjPAIAAAAAAAAAAAAAAAAAAWJAAAAAAAAAAAAAAAAAAAAAHgAQCCAACByhgAIBAALABxAIQAEQEIIAAAAAAAAAAAHAAAGDUBYAgCQfQAAPNSITAAH6fAdAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(5S,7R,8S,9R)-8,9-bis(oxidanyl)-2,4-bis(oxidanylidene)-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(5S,7R,8S,9R)-8,9-dihydroxy-2,4-diketo-6-oxa-1,3-diazaspiro[4.4]nonan-7-yl]methyl dihydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HVXIMXHBUJADCC-GTBMBKLPSA-N

> <PUBCHEM_XLOGP3_AA>
-4.4

> <PUBCHEM_EXACT_MASS>
298.020217

> <PUBCHEM_MOLECULAR_FORMULA>
C7H11N2O9P

> <PUBCHEM_MOLECULAR_WEIGHT>
298.144002

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)OP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
175

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
298.020217

> <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>
5

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  18  5
13  2  5
14  3  6
15  4  6

$$$$