2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate

Catalog Number	ACM383907184
CAS	383907-18-4
Structure
Synonyms	L-Alpha-phosphatidylethanolamines, bovine brain
IUPAC Name	2-Azaniumylethyl [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate
Molecular Weight	746
Molecular Formula	C41H80NO8P
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m1/s1
InChI Key	JQKOHRZNEOQNJE-DJEJVYNPSA-N
Purity	99%+
Complexity	847
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	745.56215551
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC
Monoisotopic Mass	745.56215551
Physical State	Liquid
Rotatable Bond Count	42
Storage Conditions	-20 °C
Topological Polar Surface Area	139 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

2-azaniumylethyl [(2R)-3-octadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate

What is the molecular formula of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

C41H80NO8P

What is the molecular weight of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

746.0g/mol

What is the CAS number of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

383907-18-4

How many heavy atoms are present in 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

51

How many rotatable bonds are in 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

42

What is the canonical SMILES of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

CCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC

What is the XLogP3 value of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

13.7

What are some of the depositor-supplied synonyms of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, DTXSID40677073, GPE(18:0/18:1), etc.

What is the InChIKey of 2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate?

JQKOHRZNEOQNJE-DJEJVYNPSA-N

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2-Azaniumylethyl (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(stearoyloxy)propyl phosphate (383907-18-4)

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