Mrv0541 05061308572D          

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M  END
> <DATABASE_ID>
CHEM005325

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C40H78O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

> <INCHI_KEY>
YKDMBTQVKVEMSA-UHFFFAOYSA-N

> <FORMULA>
C40H78O5

> <MOLECULAR_WEIGHT>
639.0443

> <EXACT_MASS>
638.584925606

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
87.20702390943725

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(octadecanoyloxy)ethoxy]ethyl octadecanoate

> <ALOGPS_LOGP>
10.51

> <JCHEM_LOGP>
14.364727875666668

> <ALOGPS_LOGS>
-7.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.153952792697326

> <JCHEM_POLAR_SURFACE_AREA>
61.83000000000001

> <JCHEM_REFRACTIVITY>
191.18390000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
40

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.23e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(octadecanoyloxy)ethoxy]ethyl octadecanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
DIETHYLENE GLYCOL DISTEARATE

> <CAS>
109-30-8

$$$$