Phytyl palmitate

Phytyl palmitate
Compound Structure:
Synonyms: Phytylhexadecanoate; trans-phytyl palmitate ;SCHEMBL4761778; SCHEMBL14273789
Compound ID: NMPC-1409
PubChem ID:

14486557
Molecular Formula: C36H70O2
Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C
InChIKey: JDFCEOMVLWWUMP-WUZYOQQESA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

534.9 g/mol

XLogP3-AA

16.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

29

Exact Mass

534.53758147 g/mol

Monoisotopic Mass

534.53758147 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

38

Formal Charge

0

Complexity

536

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                      

                                                                                             
Source Species: Deinbollia pinnata
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