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

Catalog Number	ACM61599233
CAS	61599-23-3
Synonyms	16:1 PE
Molecular Weight	687.93
Molecular Formula	C37H70NO8P
Canonical SMILES	[H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O
Purity	99%+
Physical State	Liquid
Storage Conditions	-20 °C

Knowledge & Learning Case Study Q&A

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

The molecular formula is C37H70NO8P.

What is the molecular weight of 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

The molecular weight is 687.9g/mol.

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

There are 47 heavy atoms in the structure.

What is the canonical SMILES representation of 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

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

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

There are 9 hydrogen bond acceptors.

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

The XLogP3 value is 8.4.

What are the InChI and InChIKey representations of 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35H,3-12,17-34,38H2,1-2H3,(H,41,42)/b15-13-,16-14-/t35-/m1/s1
InChIKey: PGPMCWZMPPZJML-NAFNZUQFSA-N

What is the IUPAC name of 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-hexadec-9-enoate

How many rotatable bonds are present in the structure of 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

There are 37 rotatable bonds.

What are some synonyms for 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine?

PE(16:1/16:1), GPEtn(16:1n7/16:1n7), Phophatidylethanolamine(16:1/16:1), and more.

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1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine (61599-23-3)

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