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DOBAQ

CAT: 0931-T74322-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T74322-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1360461-69-3
Target
Others, Liposome
Related Pathways
Metabolism, Others
Bioactivity
DOBAQ, a pH-sensitive cationic lipid, is utilized in the formulation of liposomes for drug delivery applications [1].
Smiles
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)Cc1ccc(cc1)C([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Molecular Formula
C49H83NO6
Molecular Weight
782.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dobaq
CAS Number1360461-69-3
PubChem CID136212539
IUPAC Name4-[[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-dimethylazaniumyl]methyl]benzoate
Molecular FormulaC49H83NO6
Molecular Weight782.2
XLogP16.7
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count39
Heavy Atom Count56
Formal Charge0
Complexity1010
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)CC1=CC=C(C=C1)C(=O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C49H83NO6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47(51)55-43-46(42-50(3,4)41-44-37-39-45(40-38-44)49(53)54)56-48(52)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,37-40,46H,5-18,23-36,41-43H2,1-4H3/b21-19-,22-20-
InChIKey
NYZTVPYNKWYMIW-WRBBJXAJSA-N
Chemical Structure
2D Structure
2D structure of Dobaq
CAS: 1360461-69-3
CID: 136212539
Formula: C49H83NO6
MW: 782.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight782.2
XLogP316.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count39
Exact Mass781.62203937
Monoisotopic Mass781.62203937
Topological Polar Surface Area92.7 Ų
Heavy Atom Count56
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19216195-01DOBAQ

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