1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM20707715
CAS	20707-71-5
Synonyms	PE(18:2(9Z,12Z)/18:2(9Z,12Z))
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Molecular Weight	740
Molecular Formula	C41H74NO8P
Canonical SMILES	CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI	InChI=1S/C41H74NO8P/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/h11-14,17-20,39H,3-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
InChI Key	SSCDRSKJTAQNNB-DWEQTYCFSA-N
Purity	99%+
Complexity	981
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	739.51520532
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Monoisotopic Mass	739.51520532
Physical State	Liquid
Rotatable Bond Count	39
Storage Conditions	-20 °C
Topological Polar Surface Area	134 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC Name of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

What is the molecular formula of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

C41H74NO8P

What is the mono-isotopic mass of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

739.51520532

What is the CAS number of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

20707-71-5

How many heavy atoms are present in 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

51

How many hydrogen bond acceptors are there in 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

9

How many rotatable bonds are present in 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

39

What is the Canonical SMILES of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC

What is the XLogP3 value of 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

9.2

What are some other names or synonyms for 1,2-Dilinoleoyl-sn-glycero-3-phosphoethanolamine?

Linolein, 1,2-di-, 2-aminoethyl hydrogen phosphate, (+)-, GPEtn(18:2/18:2), Phophatidylethanolamine(18:2/18:2), Coatsome ME 8282, etc.

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