CAS 90989-93-8|2-aminoethoxy(2,3-bis(acetyloxy)propoxy)phosphinic acid|L-α-CEPHALIN|(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid|PE 16:1/18:1|phosphatidylethanolamine (18:0/22:5)|...

General Information

Structure

Molecular Formula

C₉H₁₈NO₈P

Molecular Mass

299.214881

Exact Mass

299.07700317

Charge

InChI

InChI=1S/C9H18NO8P/c1-7(11)15-5-9(18-8(2)12)6-17-19(13,14)16-4-3-10/h9H,3-6,10H2,1-2H3,(H,13,14)

InChIKey

CFWRDBDJAOHXSH-UHFFFAOYSA-N

Canonic Smiles

NCCOP(=O)(OCC(OC(=O)C)COC(=O)C)O

Isomeric Smiles

CC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C

Calculated Properties

JChem

LogD (pH = 7.4)

-2.51

LogD (pH = 5.5)

-2.51

Log P

-2.51

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

1.87

Polar Surface Area

134.38

Polarizability

27.29

Molar Refractivity

62.12

LOG S

-0.07

Data Source

Names and Identifiers

IUPAC Traditional name

2-aminoethoxy(2,3-bis(acetyloxy)propoxy)phosphinic acid

Synonyms

L-α-CEPHALINPE 16:1/18:1phosphatidylethanolamine (18:0/22:5)phosphatidylethanolamine 18:1/22:4phosphatidylethanolamine (18:0/22:6)phosphatidylethanolamine 16:1/20:4PE 18:0/22:5phosphatidylethanolamine (18:0/20:2)PE(18:1/22:4)PE 18:0/20:2phosphatidylethanolamine 18:0/22:6phosphatidylethanolamine (18:1/22:4)PE(18:0/22:5)PE 16:1/20:4phosphatidylethanolamine 16:1/18:1PE(16:1/18:1)phosphatidylethanolamine (16:1/18:1)phosphatidylethanolamine (16:1/20:4)phosphatidylethanolamine 18:0/20:2PE(16:1/20:4)PE(18:0/22:6)PE 18:1/22:4PE 18:0/22:6phosphatidylethanolamine 18:0/22:5PE(18:0/20:2)phosphatidylethanolamine 40:9phosphatidylethanolamine 40:7phosphatidylethanolamine 36:0phosphatidylethanolamine 36:1phosphatidylethanolamine 38:7phosphatidylethanolamine 38:6PE 42:9phosphatidylethanolamine 38:0PE 38:0PE 36:0PE 40:7PE 38:7phosphatidylethanolamine 33:2PE 40:9PE 36:1PE 38:6phosphatidylethanolamine 42:9PE 33:2PE(38:2)phosphatidylethanolamine 38:2phosphatidylethanolamine(38:2)PE 38:2PE(18:1_18:1)PE(18:1_20:1)PE 18:0_20:3phosphatidylethanolamine 36:2PE(36:3)phosphatidylethanolamine 18:1_18:1PE(18:1_20:3)phosphatidylethanolamine 18:1_20:3PE(18:1_18:0)phosphatidylethanolamine 36:3PE 18:1_18:1phosphatidylethanolamine(18:1_18:1)PE 18:2_20:1PE 36:2PE(18:1_18:2)phosphatidylethanolamine 18:1_18:2PE-36:3PE(18:2_20:1)phosphatidylethanolamine(18:2_20:1)PE 36:3PE 38:3phosphatidylethanolamine(18:1_20:1)phosphatidylethanolamine 18:2_20:1phosphatidylethanolamine 18:0_20:4PE 18:1_18:0PE(36:2)PE(18:0_20:3)PE 18:1_20:3phosphatidylethanolamine(18:1_18:0)PE-38:3PE 18:0_20:4PE 18:1_18:2PE 18:1_20:1phosphatidylethanolamine 18:1_20:1phosphatidylethanolamine(18:1_20:3)phosphatidylethanolamine 18:1_18:0phosphatidylethanolamine(18:0_20:3)phosphatidylethanolamine 38:3PE(38:3)phosphatidylethanolamine(18:1_18:2)phosphatidylethanolamine 18:0_20:3PE(18:0_20:4)phosphatidylethanolamine(18:0_20:4)

IUPAC name

(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid

Names and Identifiers

Registration numbers

CAS Number

90989-93-8

PubChem CID

21668201

PubMed Citation Links

27881988256763853017513330007793287543022700276324306727288070322985298519429885267076372976086927162539279070212254671327976698

MetaCyc Database

Phosphatidylethanolamines-38-3Phosphatidylethanolamines-36-2Phosphatidylethanolamines-36-3

Registration numbers

Properties

Safety Information

MSDS Link

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Product Information

Certificate of Analysis

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Properties

Related Proteins

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Molecular Spectra

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Molecule Details

MP Biomedicals

05215249

MP Biomedicals Rare Chemical collection

ChEBI

CHEBI:90466

A phosphatidylethanolamine in which one acyl group has 16 carbons and 1 double bond while the other has 20 carbons and 4 double bonds.

CHEBI:90464

A phosphatidylethanolamine in which one acyl group has 16 carbons and 1 double bond while the other has 18 carbons and 1 double bond.

CHEBI:90467

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.

CHEBI:90470

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 22 carbons and 6 double bonds.

CHEBI:90468

A phosphatidylethanolamine in which one acyl group has 18 carbons and is fully saturated while the other has 22 carbons and 5 double bonds.

CHEBI:90472

A phosphatidylethanolamine in which one acyl group has 18 carbons and 1 double bond while the other has 22 carbons and 4 double bonds.

CHEBI:134435

A phosphatidylethanolamine in which the two acyl groups contain a total of 36 carbons and no double bonds.

CHEBI:134443

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 7 double bonds.

CHEBI:134445

A phosphatidylethanolamine in which the two acyl groups contain a total of 42 carbons and 9 double bonds.

CHEBI:134428

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 6 double bonds.

CHEBI:134429

A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 7 double bonds.

CHEBI:134450

A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 9 double bonds.

CHEBI:134459

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and no double bonds.

CHEBI:134446

A phosphatidylethanolamine in which the two acyl groups contain a total of 33 carbons and 2 double bonds.

CHEBI:134451

A phosphatidylethanolamine in which the two acyl groups contain a total of 36 carbons and 1 double bond.

CHEBI:136382

A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 2 double bonds.

CHEBI:141587

A phosphatidylethanolamine 36:1 in which one acyl group has 18 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified).

CHEBI:141590

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 38 carbons in total with 3 double bonds.

CHEBI:141595

A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and 2 double bonds while the other has 20 carbons and 1 double bond (position not specified).

CHEBI:141594

A phosphatidylethanolamine 38:2 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 1 double bond (position not specified).

CHEBI:141588

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 2 double bonds.

CHEBI:141591

A phosphatidylethanolamine 36:2 in which both acyl groups have 18 carbons and 1 double bond each (position not specified).

CHEBI:141589

A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 3 double bonds.

CHEBI:141593

A phosphatidylethanolamine 36:3 in which one acyl group has 18 carbons and 1 double bond while the other has 18 carbons and 2 double bonds (position not specified).

CHEBI:141596

A phosphatidylethanolamine 38:3 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 3 double bonds (position not specified).

CHEBI:141597

A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified).

CHEBI:141598

A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 3 double bonds (position not specified).

Molecule Details

References

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References

Bioactivity

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Bioactivity

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