CAS
941294-58-2 Purity
98%
941294-58-2 Purity
98%
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Sorbitan,trioctanoate
CAS
94131-37-0
Catalog Number
ACM94131370
Category
Other Products
Molecular Weight
542.744960 [g/mol]
Molecular Formula
C30H54O8
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Specification
Synonyms
Sorbitan, trioctanoate, EINECS 302-698-5, 94131-37-0
IUPAC Name
[(3S,4R,5R)-5-[(1R)-2-hydroxy-1-octanoyloxyethyl]-4-octanoyloxyoxolan-3-yl] octanoate
Canonical SMILES
CCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCC)C(CO)OC(=O)CCCCCCC
InChI Key
YPSQXMOPHRARAQ-LPKQAODOSA-N
EC Number
302-698-5
Exact Mass
542.38200
H-Bond Acceptor
8
H-Bond Donor
1
What is the molecular formula of Sorbitan, trioctanoate?
The molecular formula of Sorbitan, trioctanoate is C30H54O8.
When was Sorbitan, trioctanoate created in the PubChem database?
Sorbitan, trioctanoate was created in the PubChem database on August 20, 2009.
What is the molecular weight of Sorbitan, trioctanoate?
The molecular weight of Sorbitan, trioctanoate is 542.7 g/mol.
What is the Canonical SMILES of Sorbitan, trioctanoate?
The Canonical SMILES of Sorbitan, trioctanoate is CCCCCCCC(=O)OC1COC(C1OC(=O)CCCCCCC)C(CO)OC(=O)CCCCCCC.
What is the InChIKey of Sorbitan, trioctanoate?
The InChIKey of Sorbitan, trioctanoate is YPSQXMOPHRARAQ-LPKQAODOSA-N.
How many hydrogen bond donor counts does Sorbitan, trioctanoate have?
Sorbitan, trioctanoate has 1 hydrogen bond donor count.
What is the topological polar surface area of Sorbitan, trioctanoate?
The topological polar surface area of Sorbitan, trioctanoate is 108 Ų.
Is Sorbitan, trioctanoate a canonicalized compound?
Yes, Sorbitan, trioctanoate is a canonicalized compound.
What is the XLogP3-AA value of Sorbitan, trioctanoate?
The XLogP3-AA value of Sorbitan, trioctanoate is 8.1.
How many defined atom stereocenter counts does Sorbitan, trioctanoate have?
Sorbitan, trioctanoate has 4 defined atom stereocenter counts.
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