1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine

Catalog Number	ACM76733523
CAS	76733-52-3
Synonyms	14:1 PC
IUPAC Name	2,3-Di(tetradec-9-enoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Molecular Weight	673.9
Molecular Formula	C36H68NO8P
Canonical SMILES	CCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCC
InChI	InChI=1S/C36H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h12-15,34H,6-11,16-33H2,1-5H3
InChI Key	AVCZHZMYOZARRJ-UHFFFAOYSA-N
Purity	99%+
Complexity	847
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	673.46825513
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Monoisotopic Mass	673.46825513
Physical State	Powder
Rotatable Bond Count	34
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The IUPAC name of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is [(2R)-2,3-bis[[(E)-tetradec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.

What is the molecular formula of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The molecular formula of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is C36H68NO8P.

What is the canonical SMILES representation of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The canonical SMILES representation of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is CCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCC.

How many heavy atoms are present in 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

There are 46 heavy atoms present in 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine.

What is the molecular weight of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The molecular weight of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is 673.9g/mol.

What is the exact mass of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The exact mass of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is 673.46825513.

How many rotatable bonds are present in 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

There are 34 rotatable bonds present in 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine.

What is the XLogP3 value of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The XLogP3 value of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is 9.4.

What is the InChIKey of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

The InChIKey of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine is AVCZHZMYOZARRJ-VFHCTZGBSA-N.

What are some of the depositor-supplied synonyms of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine?

Some depositor-supplied synonyms of 1,2-Dimyristelaidoyl-sn-glycero-3-phosphocholine include 1,2-dimyristelaidoyl-sn-glycero-3-phosphocholine and PC(14:1(9E)/14:1(9E)).

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