1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM89576294-1
CAS	89576-29-4
Synonyms	18:1 LYSO PE
IUPAC Name	[(2R)-3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-octadec-9-enoate
Molecular Weight	479.6
Molecular Formula	C23H46NO7P
Canonical SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
InChI	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1
InChI Key	PYVRVRFVLRNJLY-MZMPXXGTSA-N
Purity	99%+
Complexity	517
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	479.3011898
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
Monoisotopic Mass	479.3011898
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	128 Ų

Knowledge & Learning Case Study Q&A

What is the molecular formula of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The molecular formula of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is C23H46NO7P.

What is the IUPAC name of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The IUPAC name of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is 2-azaniumylethyl [(2R)-2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] phosphate.

What is the Canonical SMILES of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The Canonical SMILES of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is CCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O.

What is the CAS number of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The CAS number of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is 89576-29-4.

What is the molecular weight of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The molecular weight of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is 479.6 g/mol.

What is the XLogP3 value of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The XLogP3 value of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is 4.7.

How many rotatable bonds does 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine have?

1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine has 24 rotatable bonds.

What is the InChIKey of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

The InChIKey of 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine is PYVRVRFVLRNJLY-MZMPXXGTSA-N.

What are some synonyms for 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine?

Some synonyms for 1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine include 1-18:1-lysoPE, 1-oleoylglycerophosphoethanolamine, and BP-29609.

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1-(9Z-Octadecenoyl)-sn-glycero-3-phosphoethanolamine (89576-29-4)

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