MPEG2000-DSPE Sodium Salt - MW 2000 Da , CAS No.247925-28-6

CAS: 247925-28-6 Cat. No.: M404766 분자식: C₄₅H₈₇NNaO₁₁P 분자량: 872.1

GRADE & PURITY MW 2000 Da

Synonyms

N-[Carbonyl(methoxypolyethylene glycol)]-1,2-distearoyl-sn-glycero-3-phosphoethanolamine Sodium Salt

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

동의어

N-[Carbonyl(methoxypolyethylene glycol)]-1,2-distearoyl-sn-glycero-3-phosphoethanolamine Sodium Salt

사양 및 순도

MW 2000 Da

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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이름과 식별자

Pubchem Sid

508810712

정식 스마일

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

IUPAC Name

sodium;[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(2-methoxyethoxycarbonylamino)ethyl phosphate

InChIKey

SRLOHQKOADWDBV-NRONOFSHSA-M

INCHI

1S/C45H88NO11P.Na/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-43(47)54-40-42(41-56-58(50,51)55-37-36-46-45(49)53-39-38-52-3)57-44(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h42H,4-41H2,1-3H3,(H,46,49)(H,50,51);/q;+1/p-1/t42-;/m1./s1

이성체 SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)OCCOC)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

분자량

872.1

Reaxy-Rn

60733557

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60733557&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Glycerophospholipids
      • Subclass Glycerophosphoethanolamines
        • Level5 Glycero-3-phospho-N-acyl-ethanolamines
          • Level6 N-acyl-phosphatidylethanolamines

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Glycerophospholipids
• Subclass: Glycerophosphoethanolamines
• Intermediate Tree Nodes: Glycero-3-phospho-N-acyl-ethanolamines
• Direct Parent: N-acyl-phosphatidylethanolamines
• Alternative Parents: Phosphoethanolamines Fatty acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Carbamate esters Carboxylic acid esters Dialkyl ethers Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acyl-phosphatidylethanolamine - Phosphoethanolamine - Fatty acid ester - Dialkyl phosphate - Dicarboxylic acid or derivatives - Organic phosphoric acid derivative - Phosphoric acid ester - Fatty acyl - Alkyl phosphate - Carbamic acid ester - Carboxylic acid ester - Organic alkali metal salt - Ether - Dialkyl ether - Carboxylic acid derivative - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-acyl-phosphatidylethanolamines. These are phosphatidylethanolamines with a N-acylated ethanolamine moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 감도: Hygroscopic
• 분자량: 872.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 48
• Exact Mass: 871.591 Da
• Monoisotopic Mass: 871.591 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 59
• Formal Charge: 0
• Complexity: 994.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3