Mrv1652306031609082D          

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  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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 10  8  1  0  0  0  0
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 49 47  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012135

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCCO[P@]1OC[C@@]2(CO[P@](OCCCCCCCCCCCCCCCCCC)OC2)CO1

> <INCHI_IDENTIFIER>
InChI=1S/C41H82O6P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42-48-44-37-41(38-45-48)39-46-49(47-40-41)43-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3/t41-,48-,49-/m0/s1

> <INCHI_KEY>
PZRWFKGUFWPFID-SFZNQDLVSA-N

> <FORMULA>
C41H82O6P2

> <MOLECULAR_WEIGHT>
733.049

> <EXACT_MASS>
732.558664356

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
131

> <JCHEM_AVERAGE_POLARIZABILITY>
94.94946913282695

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

> <ALOGPS_LOGP>
9.95

> <JCHEM_LOGP>
14.8308

> <ALOGPS_LOGS>
-7.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
3.2531625034456075

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
211.2111

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.39e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,9-bis(octadecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

> <JCHEM_VEBER_RULE>
0

> <NAME>
O,O'-Dioctadecylpentaerythritol bis(phosphite)

> <CAS>
3806-34-6

$$$$