1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine

Catalog Number	ACM174062738
CAS	174062-73-8
Synonyms	C18(Plasm) LPE
IUPAC Name	2-Aminoethyl [(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] hydrogen phosphate
Molecular Weight	465.6
Molecular Formula	C23H48NO6P
Canonical SMILES	CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCCN)O
InChI	InChI=1S/C23H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h17,19,23,25H,2-16,18,20-22,24H2,1H3,(H,26,27)/b19-17-/t23-/m1/s1
InChI Key	KACDZDULGKPXHT-HIVNOOBXSA-N
Purity	99+%
Complexity	450
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	465.32192525
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O
Monoisotopic Mass	465.32192525
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	111 Ų

Knowledge & Learning Case Study Q&A

What is the IUPAC name of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The IUPAC name of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-octadec-1-enoxy]propyl] hydrogen phosphate.

What is the CAS number of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The CAS number of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 174062-73-8.

What is the molecular formula of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The molecular formula of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is C23H48NO6P.

What is the molecular weight of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The molecular weight of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 465.6 g/mol.

How many hydrogen bond acceptors does 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine have?

1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine has 7 hydrogen bond acceptors.

How many hydrogen bond donors does 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine have?

1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine has 3 hydrogen bond donors.

What is the computed XLogP3 value of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The computed XLogP3 value of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 4.

What is the complexity of the computed properties of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The complexity of the computed properties of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 450.

What is the exact mass of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The exact mass of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is 465.32192525.

What is the InChIKey of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine?

The InChIKey of 1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine is KACDZDULGKPXHT-HIVNOOBXSA-N.

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1-[(1Z)-Octadec-1-enyl]-sn-glycero-3-phosphoethanolamine (174062-73-8)

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