5-Hydroxymethylcytidine - ≥95% , CAS No.19235-17-7

CAS: 19235-17-7 Cat. No.: H343530 Summenformel: C₁₀H₁₅N₃O₆ Molekulargewicht: 273.24

GRADE & PURITY ≥95%

Synonyms

4-amino-1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidin-2(1H)-one | SCHEMBL156036 | Cytidine, 5-(hydroxymethyl)- | 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxyme

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

4-amino-1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-(hydroxymethyl)pyrimidin-2(1H)-one | SCHEMBL156036 | Cytidine, 5-(hydroxymethyl)- | 4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-(hydroxyme

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504767620
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767620
• Kanonisches Lächeln: C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)CO
• IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
• InChIKey: NFEXJLMYXXIWPI-JXOAFFINSA-N
• INCHI: 1S/C10H15N3O6/c11-8-4(2-14)1-13(10(18)12-8)9-7(17)6(16)5(3-15)19-9/h1,5-7,9,14-17H,2-3H2,(H2,11,12,18)/t5-,6-,7-,9-/m1/s1
• Isomere SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)CO
• Molekulargewicht: 273.24
• Reaxy-Rn: 55871090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55871090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Klasse Pyrimidine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Klasse: Pyrimidine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine nucleosides
• Alternative Parents: Glycosylamines Pentoses Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Oxolanes Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols Aromatic alcohols Primary amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Monosaccharide - Pyrimidine - Imidolactam - Heteroaromatic compound - Oxolane - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Organic oxide - Organic oxygen compound - Aromatic alcohol - Primary amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: n20D1.76 (Predicted)
• Siedepunkt (°C): ~621.1° C at 760 mmHg (Predicted)
• Molekulargewicht: 273.240 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 273.096 Da
• Monoisotopic Mass: 273.096 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 437.000
• 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