1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM19805186
CAS	19805-18-6
Synonyms	18:1 Trans PE
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
Molecular Weight	744
Molecular Formula	C41H78NO8P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
InChI	InChI=1S/C41H78NO8P/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/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17+,20-18+/t39-/m1/s1
InChI Key	MWRBNPKJOOWZPW-GPADLTIESA-N
Purity	99%+
Complexity	897
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	743.54650544
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isomeric SMILES	CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C/CCCCCCCC
Monoisotopic Mass	743.54650544
Physical State	Powder
Rotatable Bond Count	41
Storage Conditions	-20 °C
Topological Polar Surface Area	134 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The CAS number of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is 19805-18-6.

What is the Canonical SMILES for 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES for 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC

How many hydrogen bond acceptors are present in the Computed Properties of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

There are 9 hydrogen bond acceptors in the Computed Properties of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine.

What is the Computed Properties XLogP3 value of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The Computed Properties XLogP3 value of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is 10.6.

What is the Exact Mass of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The Exact Mass of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is 743.54650544.

What is the IUPAC Name of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The IUPAC Name of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate.

What is the Molecular Formula and Molecular Weight of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine?

The Molecular Formula of 1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine is C41H78NO8P and the Molecular Weight is 744.0g/mol.

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1,2-Di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine (19805-18-6)

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