Products for Research Use Only

9-cis-Retinyl Palmitate-d5

CAT: 0572-TRC-R275502-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-R275502-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1331666-45-5
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C1=C(\C=C\C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)\C)C(C)(C)CCC1([2H])[2H]
Molecular Formula
C36 D5 H55 O2
Molecular Weight
529.891
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22-,32-28+/i4D3,24D2
Additionnal Information
IUPAC name: [(2E,4E,6Z,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
Shipping Conditions
Room Temperature

Chemical Information

9-cis-Retinyl Palmitate-d5
CAS Number1331666-45-5
PubChem CID71752037
IUPAC Name[(2E,4E,6Z,8E)-9-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenyl] hexadecanoate
Molecular FormulaC36H60O2
Molecular Weight529.9
XLogP13.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count38
Formal Charge0
Complexity803
SMILES
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])\C=C\C(=C/C=C/C(=C/COC(=O)CCCCCCCCCCCCCCC)/C)\C)(C)C)[2H]
InChI
InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22-,32-28+/i4D3,24D2
InChIKey
VYGQUTWHTHXGQB-HXKGZMFTSA-N
Chemical Structure
2D Structure
2D structure of 9-cis-Retinyl Palmitate-d5
CAS: 1331666-45-5
CID: 71752037
Formula: C36H60O2
MW: 529.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight529.9
XLogP313.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass529.49071488
Monoisotopic Mass529.49071488
Topological Polar Surface Area26.3 Ų
Heavy Atom Count38
Formal Charge0
Complexity803
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes