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

Catalog Number	ACM56750904
CAS	56750-90-4
Synonyms	14:1 (Delta9-cis) PC
IUPAC Name	[(2R)-2-[(E)-Tetradec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] 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/b14-12-,15-13+/t34-/m1/s1
InChI Key	AVCZHZMYOZARRJ-LIWVSQOASA-N
Purity	99%+
Complexity	847
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	673.46825513
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isomeric SMILES	CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/CCCC
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 molecular formula of 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine?

The molecular formula is C36H68NO8P.

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

The exact mass is 673.46825513 g/mol.

How many hydrogen bond acceptors does 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine have?

It has 8 hydrogen bond acceptors.

What is the Canonical SMILES of 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine?

CCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCC

How many rotatable bonds does 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine have?

It has 34 rotatable bonds.

What is the IUPAC Name of 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine?

It is [(2R)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate.

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

The InChIKey is AVCZHZMYOZARRJ-JWLMTKEBSA-N.

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

There are 46 heavy atoms.

What is the Complexity value for 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine?

The complexity value is 847.

What is a common synonym for 1,2-Dimyristoleoyl-sn-glycero-3-phosphocholine?

A common synonym is Dimyristoleoyl-L-alpha-glycerophosphorylcholine.

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