Mrv0541 05061307202D          

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M  END
> <DATABASE_ID>
CHEM027910

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C37H70O6/c1-4-7-10-13-16-18-21-23-26-29-35(38)41-32-34(43-37(40)31-28-25-20-15-12-9-6-3)33-42-36(39)30-27-24-22-19-17-14-11-8-5-2/h34H,4-33H2,1-3H3

> <INCHI_KEY>
NTSSIIDXDVUTDN-UHFFFAOYSA-N

> <FORMULA>
C37H70O6

> <MOLECULAR_WEIGHT>
610.9481

> <EXACT_MASS>
610.517239972

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
79.15751337192589

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(decanoyloxy)-3-(dodecanoyloxy)propyl dodecanoate

> <ALOGPS_LOGP>
9.49

> <JCHEM_LOGP>
12.700186374333335

> <ALOGPS_LOGS>
-7.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366662

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
176.87630000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(decanoyloxy)-3-(dodecanoyloxy)propyl dodecanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Glycerol 1,3-didodecanoate 2-decanoate

> <CAS>
60138-22-9

$$$$