Cytidine 3',5'-diphosphate , CAS No.2922-94-3

CAS: 2922-94-3 Cat. No.: C1256797 PubChem CID: 3081380

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

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

IUPAC Name

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

InChIKey

MVGIITUCOOTSAP-XVFCMESISA-N

INCHI

1S/C9H15N3O11P2/c10-5-1-2-12(9(14)11-5)8-6(13)7(23-25(18,19)20)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H2,10,11,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1

Isomeri SMILES

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

CAS alternativo

2922-94-3

PubChem CID

3081380

Termini MeSH

3',5'-CDP;5'-phosphocytidine 3'-phosphate;cytidine 3',5'-diphosphate

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleotides
      • Subclass Pyrimidine ribonucleotides
        • Level5 Pyrimidine ribonucleoside bisphosphates
          • Level6 Pyrimidine ribonucleoside 3',5'-bisphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrimidine nucleotides
• Subclass: Pyrimidine ribonucleotides
• Intermediate Tree Nodes: Pyrimidine ribonucleoside bisphosphates
• Direct Parent: Pyrimidine ribonucleoside 3',5'-bisphosphates
• Alternative Parents: Ribonucleoside 3'-phosphates Pentose phosphates Glycosylamines Monosaccharide phosphates Pyrimidones Aminopyrimidines and derivatives Monoalkyl phosphates Primary aromatic amines Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine ribonucleoside 3',5'-bisphosphate - Ribonucleoside 3'-phosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Primary aromatic amine - Pyrimidine - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Oxolane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Azacycle - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Amine - Primary amine - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside 3',5'-bisphosphates. These are pyrimidine ribobucleotides with one phosphate group attached to 3' and 5' hydroxyl groups of the ribose 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

Proprietà chimiche e fisiche

• Peso molecolare: 403.180 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 403.018 Da
• Monoisotopic Mass: 403.018 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 684.000
• 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