Mrv0541 05061305432D          

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M  END
> <DATABASE_ID>
CHEM025104

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C42H80O6/c1-4-7-10-13-16-19-22-25-28-31-34-40(43)46-37-39(48-42(45)36-33-30-27-24-21-18-15-12-9-6-3)38-47-41(44)35-32-29-26-23-20-17-14-11-8-5-2/h39H,4-38H2,1-3H3

> <INCHI_KEY>
UDXANBFMQUOKTQ-UHFFFAOYSA-N

> <FORMULA>
C42H80O6

> <MOLECULAR_WEIGHT>
681.081

> <EXACT_MASS>
680.595490292

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
91.07476428011188

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis(tridecanoyloxy)propan-2-yl tridecanoate

> <ALOGPS_LOGP>
10.07

> <JCHEM_LOGP>
14.92302969933333

> <ALOGPS_LOGS>
-7.73

> <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>
199.88130000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
41

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.26e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis(tridecanoyloxy)propan-2-yl tridecanoate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Glycerol tritridecanoate

> <CAS>
26536-12-9

$$$$