Mrv0541 02241205212D          

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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M  RAD  1  22   2
M  END
> <DATABASE_ID>
T3D1555

> <DATABASE_NAME>
t3db

> <SMILES>
O.CCCCCCCCCCCCCCCCCC(=O)O[Al]OC(=O)CCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/2C18H36O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2*2-17H2,1H3,(H,19,20);;1H2/q;;+2;/p-2

> <INCHI_KEY>
ZFBYSSBIQZUBBE-UHFFFAOYSA-L

> <FORMULA>
C36H72AlO5

> <MOLECULAR_WEIGHT>
611.9354

> <EXACT_MASS>
611.519513855

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
80.04106590343059

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
bis(octadecanoyloxy)alumanyl hydrate

> <JCHEM_LOGP>
14.482000000000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.449279481304827

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
170.71599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
36

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
bis(octadecanoyloxy)alumanyl hydrate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1555

> <NAME>
Aluminum distearate

> <CAS>
300-92-5

> <SYNONYMS>
Aluminum distearic acid; Aluminum hydroxide dioctadecanoate; Aluminum hydroxide distearate; Aluminum hydroxydistearate; Aluminum, hydroxybis(octadecanoato-O)- (9CI); Hydroxyaluminium distearate, pure; Hydroxyaluminum distearate; Hydroxybis(octadecanoato-o)aluminum; Special m; Stearates

> <TYPES>
Organic Compound; Aluminum Compound; Organometallic; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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