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Ethyl Palmitate-d5

CAT: 0572-TRC-E925482-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E925482-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215397-47-9
Synonyms
1,1,2,2,2-Pentadeuterioethyl hexadecanoate; Hexadecanoic Acid Ethyl Ester-d5; Palmitic Acid Ethyl Ester-d5; Ethyl Hexadecanoate-d5; NSC 8918-d5;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC
Molecular Formula
C18 D5 H31 O2
Molecular Weight
289.508
InChI
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3/i2D3,4D2
Additionnal Information
IUPAC name: 1,1,2,2,2-pentadeuterioethyl hexadecanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,1,2,2,2-Pentadeuterioethyl hexadecanoate
CAS Number1215397-47-9
PubChem CID71316621
IUPAC Name1,1,2,2,2-pentadeuterioethyl hexadecanoate
Molecular FormulaC18H36O2
Molecular Weight289.5
XLogP7.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3/i2D3,4D2
InChIKey
XIRNKXNNONJFQO-PVGOWFQYSA-N
Chemical Structure
2D Structure
2D structure of 1,1,2,2,2-Pentadeuterioethyl hexadecanoate
CAS: 1215397-47-9
CID: 71316621
Formula: C18H36O2
MW: 289.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.5
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass289.302914117
Monoisotopic Mass289.302914117
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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