1-Dodecanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM20559186-1
CAS	20559-18-6
Structure
Synonyms	12:0 LYSO PC
IUPAC Name	[(2R)-3-Dodecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	439.5
Molecular Formula	C20H42NO7P
Canonical SMILES	CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/t19-/m1/s1
InChI Key	BWKILASWCLJPBO-LJQANCHMSA-N
Purity	99%+
Complexity	460
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	439.26988968
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	439.26988968
Physical State	Powder
Rotatable Bond Count	20
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number for 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The CAS number for 1-Dodecanoyl-sn-glycero-3-phosphocholine is 20559-18-6.

What is the Canonical SMILES representation of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-Dodecanoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O.

How many hydrogen bond acceptors are present in 1-Dodecanoyl-sn-glycero-3-phosphocholine?

There are 7 hydrogen bond acceptors present in 1-Dodecanoyl-sn-glycero-3-phosphocholine.

What is the XLogP3 value of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1-Dodecanoyl-sn-glycero-3-phosphocholine is 3.4.

What is the molecular weight of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Dodecanoyl-sn-glycero-3-phosphocholine is 439.5 g/mol.

What is the IUPAC name of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1-Dodecanoyl-sn-glycero-3-phosphocholine is [(2R)-3-dodecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the InChIKey for 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The InChIKey for 1-Dodecanoyl-sn-glycero-3-phosphocholine is BWKILASWCLJPBO-LJQANCHMSA-N.

How many rotatable bonds are there in 1-Dodecanoyl-sn-glycero-3-phosphocholine?

There are 20 rotatable bonds present in 1-Dodecanoyl-sn-glycero-3-phosphocholine.

What is the exact mass of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The exact mass of 1-Dodecanoyl-sn-glycero-3-phosphocholine is 439.26988968.

What is the UNII number of 1-Dodecanoyl-sn-glycero-3-phosphocholine?

The UNII number of 1-Dodecanoyl-sn-glycero-3-phosphocholine is V4Z2U6E9RE.

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1-Dodecanoyl-sn-glycero-3-phosphocholine (20559-18-6)

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