1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine

Catalog Number	ACM56782468
CAS	56782-46-8
Structure
Synonyms	18:1 (Delta9-trans) PC
IUPAC Name	2-[2,3-Bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Molecular Weight	787.1
Molecular Formula	C44H85NO8P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C44H84NO8P/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/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21+
InChI Key	SNKAWJBJQDLSFF-DQPVQCHKSA-O
Purity	99%+
Complexity	980
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	786.60128067
Heavy Atom Count	54
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC
Monoisotopic Mass	786.60128067
Physical State	Powder
Rotatable Bond Count	42
Storage Conditions	-20 °C
Topological Polar Surface Area	108 Ų

Knowledge & Learning Case Study Q&A

What is the chemical structure of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The chemical structure of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine.

What is the Canonical SMILES representation of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

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

How many heavy atoms are present in 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine contains 54 heavy atoms.

What is the XLogP3 value of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The XLogP3 value of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is 13.8.

What is the IUPAC Name of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The IUPAC Name of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is 2-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium.

What is the Molecular Formula of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The Molecular Formula of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is C44H85NO8P+.

What is the Monoisotopic Mass of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The Monoisotopic Mass of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is 786.60128067.

What is the InChI key of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The InChI key of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is SNKAWJBJQDLSFF-DQPVQCHKSA-O.

What is the CAS number of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

The CAS number of 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine is 56782-46-8.

What are some alternative names or synonyms for 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine?

Some alternative names or synonyms for 1,2-Di[trans-9-octadecenoyl]-sn-glycero-3-phosphocholine include trimethyl(2-{[3-[octadec-11-enoyloxy]-2-[octadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)azanium, 1,2-Dielaidoyl-sn-glycero-3-phosphocholine, and NS00125363.

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