What is the molecular formula of the compound with PubChem CID 53425884?
The molecular formula is C42H72N2O12.
What is the IUPAC name of the compound?
The IUPAC name is 4,15,21,32,37,48-hexaoxa-1,18-diazabicyclo[16.16.16]pentacontane-5,14,22,31,38,47-hexone.
What is the InChI of the compound?
The InChI is InChI=1S/C42H72N2O12/c45-37-19-13-7-1-2-8-14-20-38(46)52-32-26-44-29-35-55-41(49)23-17-11-5-3-9-15-21-39(47)53-33-27-43(25-31-51-37)28-34-54-40(48)22-16-10-4-6-12-18-24-42(50)56-36-30-44/h1-36H2.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1CCCCC(=O)OCCN2CCOC(=O)CCCCCCCCC(=O)OCCN(CCOC(=O)CCC1)CCOC(=O)CCCCCCCCC(=O)OCC2.
What is the CAS number of the compound?
The CAS number is 94088-54-7.
What is the European Community (EC) number of the compound?
The EC number is 302-055-9.
What is the molecular weight of the compound?
The molecular weight is 797.0 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 7.4.
How many hydrogen bond acceptor counts does the compound have?
The compound has 14 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 0 rotatable bond counts.
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