24771772
  -OEChem-05112406022D

 31 30  0     1  0  0  0  0  0999 V2000
    6.0010   -1.3170    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   -0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.8170    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346   -1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316   -1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -2.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -2.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110    0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 16  1  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
  5 17  1  0  0  0  0
  6 27  1  0  0  0  0
  8 16  2  0  0  0  0
  9 17  2  0  0  0  0
 10 15  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 18  1  0  0  0  0
 12 19  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 15  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 28  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24771772

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCCAACBThgAcACABABRAIQAAAiIAAAAAAAAAAAIAAAAADAAAAAAAAAAABEAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxy-propyl] formate

> <PUBCHEM_IUPAC_CAS_NAME>
formic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate

> <PUBCHEM_IUPAC_NAME>
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] formate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-methanoyloxy-propyl] methanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid [3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxy-propyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H14NO8P/c8-1-2-15-17(11,12)16-4-7(14-6-10)3-13-5-9/h5-7H,1-4,8H2,(H,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
FNMRNKWEDURENQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-4.4

> <PUBCHEM_EXACT_MASS>
271.04570340

> <PUBCHEM_MOLECULAR_FORMULA>
C7H14NO8P

> <PUBCHEM_MOLECULAR_WEIGHT>
271.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(COP(=O)(O)OCC(COC=O)OC=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(COP(=O)(O)OCC(COC=O)OC=O)N

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
271.04570340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  13  3

$$$$