24798685
  -OEChem-04262400492D

 41 40  0     1  0  0  0  0  0999 V2000
    6.3301   -1.3170    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3170    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.8170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -2.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -2.2919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.2801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560   -2.7200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -0.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.7919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1401    0.0860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.1970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    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  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
 16  4  1  1  0  0  0
  4 19  1  0  0  0  0
  5 39  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  8 19  2  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
M  CHG  1  10   1
M  END
> <PUBCHEM_COMPOUND_CID>
24798685

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
343

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByPAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACCAACBThgAcCCAMABRAIQAAAiIAAAAAAAAAAAAAIAAADAAAAAAAAAAABAAASAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[(2R)-2,3-diformyloxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[(2<I>R</I>)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

> <PUBCHEM_IUPAC_NAME>
2-[[(2R)-2,3-diformyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[(2R)-2,3-dimethanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[(2R)-2,3-diformyloxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H20NO8P/c1-11(2,3)4-5-18-20(14,15)19-7-10(17-9-13)6-16-8-12/h8-10H,4-7H2,1-3H3/p+1/t10-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RBAWEGYJSDPEHX-SNVBAGLBSA-O

> <PUBCHEM_XLOGP3_AA>
-1.1

> <PUBCHEM_EXACT_MASS>
314.10047863

> <PUBCHEM_MOLECULAR_FORMULA>
C10H21NO8P+

> <PUBCHEM_MOLECULAR_WEIGHT>
314.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)CCOP(=O)(O)OCC(COC=O)OC=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)CCOP(=O)(O)OC[C@@H](COC=O)OC=O

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
314.10047863

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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  4  5

$$$$