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

CAS: 3036-18-8 Cat. No.: C647093 Molecular Weight: 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

Overview

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

Form:Solid

Specifications

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: 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
• Alternate CAS: 3036-18-8
• PubChem CID: 123727
• MeSH Entry Terms: CDP ethanolamine;CDP ethanolamine, P'-(32)P-labeled;cytidine diphosphate ethanolamine
• Molecular Weight: 446.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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