Mrv1572004191601172D          

 10 11  0  0  0  0            999 V2000
    0.0962   -1.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106   -1.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    0.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106   -0.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5251    0.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.8541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106    1.4041    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004310

> <DATABASE_NAME>
chemdb

> <SMILES>
CCC12COP(OC1)OC2

> <INCHI_IDENTIFIER>
InChI=1S/C6H11O3P/c1-2-6-3-7-10(8-4-6)9-5-6/h2-5H2,1H3

> <INCHI_KEY>
QRUSNTDXJQBKBI-UHFFFAOYSA-N

> <FORMULA>
C6H11O3P

> <MOLECULAR_WEIGHT>
162.125

> <EXACT_MASS>
162.044581212

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
14.530830232154807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane

> <ALOGPS_LOGP>
0.51

> <JCHEM_LOGP>
1.5471999999999995

> <ALOGPS_LOGS>
-0.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.508187005908028

> <JCHEM_POLAR_SURFACE_AREA>
27.69

> <JCHEM_REFRACTIVITY>
37.7468

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.05e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
trimethylolpropane phosphite

> <JCHEM_VEBER_RULE>
1

> <NAME>
Trimethylolpropane phosphite

> <CAS>
824-11-3

$$$$