Cytidine 5′-diphosphoethanolamine - ≥99% , CAS No.3036-18-8

CAS: 3036-18-8 Cat. No.: C647093 Fórmula: C₁₁H₂₀N₄O₁₁P₂ Peso molecular: 446.24 PubChem CID: 123727

GRADE & PURITY ≥99%

Synonyms

2-AMINOETHOXY-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-PHOSPHINIC ACID | CDP ethanolamine | CDPethanolamine | CDP-ethanolamine | [({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Cytidine 5′-diphosphoethanolamine is an intermediate compound in the synthesis of phosphatidylethanolamine. Cytidine 5′-diphosphoethanolamine is a stimulant of Ach synthesis.

Form:Solid

Specifications

Sinónimos

2-AMINOETHOXY-[[5-(4-AMINO-2-OXO-PYRIMIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL]OXY-PHOSPHINIC ACID | CDP ethanolamine | CDPethanolamine | CDP-ethanolamine | [({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxy

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Cytidine 5′-diphosphoethanolamine is an intermediate compound in the synthesis of phosphatidylethanolamine. Cytidine 5′-diphosphoethanolamine is a stimulant of Ach synthesis.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCCN)O)O

IUPAC Name

[2-aminoethoxy(hydroxy)phosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

InChIKey

WVIMUEUQJFPNDK-PEBGCTIMSA-N

INCHI

1S/C11H20N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H2,13,14,18)/t6-,8-,9-,10-/m1/s1

SMILES isoméricas

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OCCN)O)O

CAS alternativo

3036-18-8

PubChem CID

123727

Termos de entrada MeSH

CDP ethanolamine;CDP ethanolamine, P'-(32)P-labeled;cytidine diphosphate ethanolamine

Peso molecular

446.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleotides
      • Subclass Pyrimidine ribonucleotides
        • Level5 Pyrimidine ribonucleoside diphosphates
          • Level6 CDP-ethanolamines

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrimidine nucleotides
• Subclass: Pyrimidine ribonucleotides
• Intermediate Tree Nodes: Pyrimidine ribonucleoside diphosphates
• Direct Parent: CDP-ethanolamines
• Alternative Parents: Pentose phosphates Glycosylamines Organic pyrophosphates Monosaccharide phosphates Phosphoethanolamines Monoalkyl phosphates Hydroxypyrimidines Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cdp-ethanolamine - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Organic pyrophosphate - Phosphoethanolamine - Hydroxypyrimidine - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Tetrahydrofuran - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Primary amine - Organic oxide - Amine - Alcohol - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cdp-ethanolamines. These are phosphoethanolamines that consist of an ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen.
• External Descriptors: nucleotide-(amino alcohol)s - phosphoethanolamine

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

Propriedades químicas e físicas

• Peso molecular: 446.240 g/mol
• XLogP3: -7.200
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 446.06 Da
• Monoisotopic Mass: 446.06 Da
• Topological Polar Surface Area: 237.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 746.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 1