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3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide

HCID 2499
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
117985-57-6
Standard SMILES
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
InChIKey
HVAUUPRFYPCOCA-UHFFFAOYSA-N
Molecular formula
C26H54NO7P
Average molar mass
523.7 g/mol
Monoisotopic mass
523.36379006

Overview

Enantio-PAF C-16 is an alkylacylglycero-3-phosphocholine.

Names & identifiers

Preferred name
3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
IUPAC
(2-acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
English name
ENANTIO-PAF (C16)
Molecular formula
C26H54NO7P
Molecular weight
523.68

Names & synonyms

RefChem:10658693,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide77286-68-1Enantio-PAF C-16117985-57-6enantio PAF C-161-O-HEXADECYL-2-ACETYL-RAC-GLYCERO-3-PHOSPHOCHOLINE3-O-Hexadecyl-2-O-acetyl-sn-glycero-1-phosphocholine(2-acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphateEnantio-PAF (C)ENANTIO-PAF (C16)enantio platelet-activating factor C-16
Show more names
PAF (C16), ENANTIOD-A-phosphatidylcholineENANTIO-PLATELET ACTIVATING FACTOR (C16)3-O-Palmityl-2-acetyl-sn-glycero-1-phosphocholine3-O-HEXADECYL-2-ACETYL-SN-GLYCERO-1-PHOSPHOCHOLINED-ALPHA-PHOSPHATIDYLCHOLINE-BETA-ACETYL-GAMMA-O-HEXADECYLEnantio-PAF(C16), D-α-Phosphatidylcholine, β-acetyl-γ-O-hexadecyl
3-O-Hexadecyl-2-O-acetyl-sn-glycero-1-phosphorylcholineCHEMBL17935GTPL1834SCHEMBL2734461DTXSID90922585CHEBI:184170HUN86681MFCD00070355

Properties

Computed structural properties

XLogP
6.5
Topological polar surface area
94.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
26
Heavy atoms
35
Formal charge
0
Complexity
546

Physicochemical properties

storage temp.
-15 °C · -15°C

Chemistry & industry

Suppliers6 total

Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
星基医药(上海)有限公司15705593425 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]

Additional notes

DefinitionChEBI: Enantio-PAF C-16 is an alkylacylglycero-3-phosphocholine.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
117985-57-6、77286-68-1
PubChem CID
2499
DTXSID
DTXSID90922585
ChEMBL
CHEMBL17935
ChEBI
CHEBI:184170