1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM7276382
CAS	7276-38-2
Structure
Synonyms	18:1-18:0 PC
IUPAC Name	[(2R)-2-Octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	788.1
Molecular Formula	C44H86NO8P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20,22,42H,6-19,21,23-41H2,1-5H3/b22-20-/t42-/m1/s1
InChI Key	NMJCSTNQFYPVOR-VHONOUADSA-N
Purity	99%+
Complexity	930
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	787.6091057
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Monoisotopic Mass	787.6091057
Physical State	Liquid
Rotatable Bond Count	43
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the computed property of the Heavy Atom Count for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Heavy Atom Count for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 54.

What is the XLogP3 value for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The XLogP3 value for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 14.7.

What is the Canonical SMILES representation of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Canonical SMILES representation of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

What is the IUPAC Name of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The IUPAC Name of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is [(2R)-2-octadecanoyloxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

What is the Molecular Formula of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The Molecular Formula of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is C44H86NO8P

What is the molecular weight of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is 788.1 g/mol

What are some Depositor-Supplied Synonyms for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

Some Depositor-Supplied Synonyms for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine include OSPC, PC(18:1(9Z)/18:0), GPCho(36:1), and more.

What is the InChIKey for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine?

The InChIKey for 1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine is NMJCSTNQFYPVOR-VHONOUADSA-N

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1-Oleoyl-2-stearoyl-sn-glycero-3-phosphocholine (7276-38-2)

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