6480061
  -OEChem-04262419302D

 34 34  0     1  0  0  0  0  0999 V2000
    6.8671    2.8585    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    3.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    1.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456   -0.0338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.4662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.7759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    2.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    2.2509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.9785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6771    4.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1 15  1  0  0  0  0
 12  2  1  1  0  0  0
  2 15  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  4 27  1  0  0  0  0
  5 29  1  0  0  0  0
  6 30  1  0  0  0  0
  8 16  2  0  0  0  0
  8 19  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 18  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  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 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6480061

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
316

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzuAIAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHggQCCAACBShkgIxtJZIFhCgQCJiZICAiCkBIqABECA2bBCFHABEaEgOTCiLEApDICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1R)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[(2R)-1-[(2,6-diamino-4-pyrimidinyl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2<I>R</I>)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2R)-1-[2,6-bis(azanyl)pyrimidin-4-yl]oxy-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(1R)-1-[(2,6-diaminopyrimidin-4-yl)oxymethyl]-2-hydroxy-ethoxy]methylphosphonic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SDORNFBUOMQVCA-RXMQYKEDSA-N

> <PUBCHEM_XLOGP3_AA>
-2.7

> <PUBCHEM_EXACT_MASS>
294.07292121

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15N4O6P

> <PUBCHEM_MOLECULAR_WEIGHT>
294.20

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(N=C(N=C1OCC(CO)OCP(=O)(O)O)N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(N=C(N=C1OC[C@@H](CO)OCP(=O)(O)O)N)N

> <PUBCHEM_CACTVS_TPSA>
174

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.07292121

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
16  17  8
17  18  8
12  2  5
8  16  8
8  19  8
9  18  8
9  19  8

$$$$