C14-O2

CAT: 0931-T201881-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T201881-01Size:10 mg

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CAS Number

2639634-77-6

Target

Liposome

Related Pathways

Metabolism

Bioactivity

C14-O2 is an ionizable cationic lipid utilized in the synthesis of lipid nanoparticles (LNP) for the delivery of mRNA and other payloads.

Smiles

OC(CN(CCOCCOCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CCN1CCN(CCOCCOCCN(CC(O)CCCCCCCCCCCC)CC(O)CCCCCCCCCCCC)CC1)CCCCCCCCCCCC

Molecular Formula

C88H181N5O9

Molecular Weight

1453.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

C14-O2 (solution in ethanol)

CAS Number	2639634-77-6
PubChem CID	171653812
IUPAC Name	1-[2-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethoxy]ethyl-[2-[4-[2-[2-[2-[bis(2-hydroxytetradecyl)amino]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethyl]amino]tetradecan-2-ol
Molecular Formula	C88H181N5O9
Molecular Weight	1453.4
XLogP	27.1
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	86
Heavy Atom Count	102
Formal Charge	0
Complexity	1520

SMILES

CCCCCCCCCCCCC(CN(CCN1CCN(CC1)CCOCCOCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)CCOCCOCCN(CC(CCCCCCCCCCCC)O)CC(CCCCCCCCCCCC)O)O

InChI

InChI=1S/C88H181N5O9/c1-6-11-16-21-26-31-36-41-46-51-56-84(94)79-91(68-72-100-76-78-102-74-70-93(82-87(97)59-54-49-44-39-34-29-24-19-14-9-4)83-88(98)60-55-50-45-40-35-30-25-20-15-10-5)66-65-89-61-63-90(64-62-89)67-71-99-75-77-101-73-69-92(80-85(95)57-52-47-42-37-32-27-22-17-12-7-2)81-86(96)58-53-48-43-38-33-28-23-18-13-8-3/h84-88,94-98H,6-83H2,1-5H3

InChIKey

HNVKEBOMDXBEIN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2639634-77-6

CID: 171653812

Formula: C88H181N5O9

MW: 1453.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1453.4
XLogP3	27.1
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	86
Exact Mass	1452.38593237
Monoisotopic Mass	1452.38593237
Topological Polar Surface Area	154 Å²
Heavy Atom Count	102
Formal Charge	0
Complexity	1520
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-159854-01	C14-O2
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BA7869-10	C14-4
HY-165604	C14-490
HY-124177-01	C14 Ceramide
TRC-C262830-5MG	C14 Dihydroceramide
GTR19247981-01	Trehalose C14
267798-01	C14-Ceramide
HY-W588183-01	C14-Dihydroceramide

C14-O2

Chemical Information

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