1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Catalog Number	ACM132213855-1
CAS	132213-85-5
Structure
Synonyms	C16-22:6 PC
IUPAC Name	[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	792.1
Molecular Formula	C46H82NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI	InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33-/t45-/m1/s1
InChI Key	QQQQNYAHSSIZBU-HIQXTUQZSA-N
Purity	99+%
Complexity	1100
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	791.58289095
Heavy Atom Count	55
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Monoisotopic Mass	791.58289095
Physical State	Liquid
Rotatable Bond Count	40
Storage Conditions	-20 °C
Topological Polar Surface Area	94.1 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

CAS number: 132213-85-5

What is the Canonical SMILES representation of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

Canonical SMILES: CCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC

How many Covalently-Bonded Unit Count does 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine have?

Covalently-Bonded Unit Count: 1

What is the XLogP3 value of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

XLogP3: 12.9

What is the IUPAC Name of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

IUPAC Name: [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

What is the Molecular Formula of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

Molecular Formula: C46H82NO7P

What is the Molecular Weight of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

Molecular Weight: 792.1g/mol

What is the Monoisotopic Mass of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

Monoisotopic Mass: 791.58289095

What is the InChIKey of 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

InChIKey: QQQQNYAHSSIZBU-HIQXTUQZSA-N

What is the Depositor-Supplied Synonym for 1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine?

Depositor-Supplied Synonym: 1-hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

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1-Hexadecyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine (132213-85-5)

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