1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine

Catalog Number	ACM799268636
CAS	799268-63-6
Synonyms	C18(Plasm)-18:1 PC
IUPAC Name	[(2R)-3-[(Z)-Octadec-1-enoxy]-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	772.1
Molecular Formula	C44H86NO7P
Canonical SMILES	CCCCCCCCCCCCCCCCC=COCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,36,39,43H,6-20,22,24-35,37-38,40-42H2,1-5H3/b23-21-,39-36-/t43-/m1/s1
InChI Key	DSWOVBIRJNAJAF-NVJOKYTBSA-N
Purity	99+%
Complexity	896
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	771.61419108
Heavy Atom Count	53
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
Monoisotopic Mass	771.61419108
Physical State	Liquid
Rotatable Bond Count	42
Storage Conditions	-20 °C
Topological Polar Surface Area	94.1 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The molecular formula of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is C44H86NO7P.

What is the molecular weight of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The molecular weight of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is 772.1g/mol.

What is the exact mass of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The exact mass of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is 771.61419108.

What is the Canonical SMILES representation of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCC=COCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC.

How many hydrogen bond acceptor counts does 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine have?

1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine have?

1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine has 42 rotatable bond counts.

What is the InChI Key of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The InChI Key of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is DSWOVBIRJNAJAF-NVJOKYTBSA-N.

What is the IUPAC name of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The IUPAC name of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is [(2R)-3-[(Z)-octadec-1-enoxy]-2-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate.

What are some of the depositor-supplied synonyms of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

Some of the depositor-supplied synonyms of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine are PC(P-18:0/18:1(9Z)), 1-(1-enyl-stearoyl)-2-oleoyl-sn-glycero-3-phosphocholine, and GPC(P-18:0/18:1).

What is the Computed Properties XLogP3 value of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine?

The Computed Properties XLogP3 value of 1-(1Z-Octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine is 15.2.

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