1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM34813406
CAS	34813-40-6
Structure
Synonyms	18:3 PE
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Molecular Weight	736
Molecular Formula	C41H70NO8P
Canonical SMILES	CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC
InChI	InChI=1S/C41H70NO8P/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/h5-8,11-14,17-20,39H,3-4,9-10,15-16,21-38,42H2,1-2H3,(H,45,46)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t39-/m1/s1
InChI Key	WIHSZOXPODIZSW-KJIWEYRQSA-N
Purity	99%+
Complexity	1070
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	735.48390519
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Monoisotopic Mass	735.48390519
Physical State	Liquid
Rotatable Bond Count	37
Storage Conditions	-20 °C
Topological Polar Surface Area	134 Ų

Knowledge & Learning Q&A

What is the CAS number of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The CAS number of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is 34813-40-6.

What is the computed properties heavy atom count of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The computed properties heavy atom count of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is 51.

What is the canonical SMILES of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The canonical SMILES of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC.

What is the Monoisotopic Mass of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The Monoisotopic Mass of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is 735.48390519.

What is the InChIKey of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The InChIKey of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is WIHSZOXPODIZSW-KJIWEYRQSA-N.

What is the molecular weight of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The molecular weight of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is 736.0g/mol.

How many rotatable bond counts does 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine have?

1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine has 37 rotatable bond counts.

What is the IUPAC Name of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine?

The IUPAC Name of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate.

How many hydrogen bond acceptor counts does 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine have?

1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine has 9 hydrogen bond acceptor counts.

What is the name of 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine in terms of phosphatidylethanolamine?

1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine is referred to as 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine in terms of phosphatidylethanolamine.

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1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine (34813-40-6)

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