Mrv1572004191601172D          

 29 28  0  0  0  0            999 V2000
    5.4434    0.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3164    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289    0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7289   -0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -1.0164    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2539    1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 26 13  2  0  0  0  0
 26 17  1  0  0  0  0
 26 18  1  0  0  0  0
 26 23  1  0  0  0  0
 27 14  2  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 27 24  1  0  0  0  0
 28 15  2  0  0  0  0
 28 21  1  0  0  0  0
 28 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 16  2  0  0  0  0
 29 22  1  0  0  0  0
 29 24  1  0  0  0  0
 29 25  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004301

> <DATABASE_NAME>
chemdb

> <SMILES>
CCOP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OP(=O)(OCC)OCC

> <INCHI_IDENTIFIER>
InChI=1S/C12H30O13P4/c1-7-17-26(13,18-8-2)23-28(15,21-11-5)25-29(16,22-12-6)24-27(14,19-9-3)20-10-4/h7-12H2,1-6H3

> <INCHI_KEY>
DAJYZXUXDOSMCG-UHFFFAOYSA-N

> <FORMULA>
C12H30O13P4

> <MOLECULAR_WEIGHT>
506.254

> <EXACT_MASS>
506.063689018

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
43.471962527030826

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(diethoxyphosphoryl)oxy](ethoxy)phosphoryl ethyl [(diethoxyphosphoryl)oxy]phosphonate

> <ALOGPS_LOGP>
1.96

> <JCHEM_LOGP>
2.123112804333333

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-8.916681993000202

> <JCHEM_POLAR_SURFACE_AREA>
151.35

> <JCHEM_REFRACTIVITY>
102.65599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.28e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(diethoxyphosphoryl)oxy(ethoxy)phosphoryl ethyl (diethoxyphosphoryl)oxyphosphonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Hexaethyl tetraphosphate

> <CAS>
757-58-4

$$$$