Cytidine 3'-monophosphate , CAS No.84-52-6

CAS: 84-52-6 Cat. No.: C1369273 EC Number: 201-537-5 PubChem CID: 66535

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Specifications

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.

Names and Identifiers

• Canonical Smiles: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)O)O
• IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
• InChIKey: UOOOPKANIPLQPU-XVFCMESISA-N
• INCHI: 1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• Isomeric SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
• Alternate CAS: 84-52-6
• PubChem CID: 66535
• MeSH Entry Terms: 2' CMP;2'-CMP;3' CMP;3'-CMP;Acid, Cytidylic;Acids, Cytidylic;CMP;Cytidine Monophosphate;Cytidylic Acid;Cytidylic Acids;Monophosphate, Cytidine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses
            • Level7 Pentose phosphates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides - Pentoses
• Direct Parent: Pentose phosphates
• Alternative Parents: Glycosylamines Monosaccharide phosphates Monoalkyl phosphates Hydroxypyrimidines Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Hydroxypyrimidine - Monoalkyl phosphate - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
• External Descriptors: cytidine 3'-phosphate - pyrimidine ribonucleoside 3'-monophosphate

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: 323.200 g/mol
• XLogP3: -3.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 323.052 Da
• Monoisotopic Mass: 323.052 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 531.000
• 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