Lipid A

CAT: 0931-T201892-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T201892-02Size:50 mg

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CAS Number

2036273-20-6

Bioactivity

Lipid A, an ionizable cationic lipid (pKa = 4.67), serves as a derivative of ALC-0315.

Smiles

O=C(OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)C(CO)CC)C(CCCCCC)CCCCCCCC

Molecular Formula

C48H95NO5

Molecular Weight

766.27

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

((1-Hydroxybutan-2-yl)azanediyl)bis(hexane-6,1-diyl) bis(2-hexyldecanoate)

CAS Number	2036273-20-6
PubChem CID	122666812
IUPAC Name	6-[6-(2-hexyldecanoyloxy)hexyl-(1-hydroxybutan-2-yl)amino]hexyl 2-hexyldecanoate
Molecular Formula	C48H95NO5
Molecular Weight	766.3
XLogP	17.5
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	45
Heavy Atom Count	54
Formal Charge	0
Complexity	733

SMILES

CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCCOC(=O)C(CCCCCC)CCCCCCCC)C(CC)CO

InChI

InChI=1S/C48H95NO5/c1-6-11-15-19-21-29-37-44(35-27-17-13-8-3)47(51)53-41-33-25-23-31-39-49(46(10-5)43-50)40-32-24-26-34-42-54-48(52)45(36-28-18-14-9-4)38-30-22-20-16-12-7-2/h44-46,50H,6-43H2,1-5H3

InChIKey

XGGISPAGMBUGOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2036273-20-6

CID: 122666812

Formula: C48H95NO5

MW: 766.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	766.3
XLogP3	17.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	45
Exact Mass	765.72102513
Monoisotopic Mass	765.72102513
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Lipid A

Chemical Information

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