1-Octanoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM45287181
CAS	45287-18-1
Synonyms	LPC (8:0)
IUPAC Name	[(2R)-2-Hydroxy-3-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	383.42
Molecular Formula	C16H34NO7P
Canonical SMILES	CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI	InChI=1S/C16H34NO7P/c1-5-6-7-8-9-10-16(19)22-13-15(18)14-24-25(20,21)23-12-11-17(2,3)4/h15,18H,5-14H2,1-4H3/t15-/m1/s1
InChI Key	ZVPMBHRQDPDKEF-OAHLLOKOSA-N
Purity	99%+
Complexity	404
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	383.20728942
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
Monoisotopic Mass	383.20728942
Physical State	Liquid
Rotatable Bond Count	16
Storage Conditions	-20 °C
Topological Polar Surface Area	105 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-Octanoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1-Octanoyl-sn-glycero-3-phosphocholine is C16H34NO7P.

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

The exact mass of 1-Octanoyl-sn-glycero-3-phosphocholine is 383.20728942.

How many heavy atoms are present in 1-Octanoyl-sn-glycero-3-phosphocholine?

There are 25 heavy atoms present in 1-Octanoyl-sn-glycero-3-phosphocholine.

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

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

How many rotatable bonds are present in 1-Octanoyl-sn-glycero-3-phosphocholine?

There are 16 rotatable bonds present in 1-Octanoyl-sn-glycero-3-phosphocholine.

What is the IUPAC Name of 1-Octanoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Octanoyl-sn-glycero-3-phosphocholine is [(2R)-2-hydroxy-3-octanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the InChIKey of 1-Octanoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1-Octanoyl-sn-glycero-3-phosphocholine is ZVPMBHRQDPDKEF-OAHLLOKOSA-N.

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

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

What is the Computed Properties XLogP3 value of 1-Octanoyl-sn-glycero-3-phosphocholine?

The Computed Properties XLogP3 value of 1-Octanoyl-sn-glycero-3-phosphocholine is 1.2.

What is the Depositor-Supplied Synonym for 1-Octanoyl-sn-glycero-3-phosphocholine?

One of the Depositor-Supplied Synonyms for 1-Octanoyl-sn-glycero-3-phosphocholine is 1-Octanoyllysolecithin.

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1-Octanoyl-sn-glycero-3-phosphocholine (45287-18-1)

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