5'-O-(4,4'-dimethoxytrityl)-2'-deoxycytidine - ≥95% , CAS No.76512-82-8

CAS: 76512-82-8 Cat. No.: O1329411 PubChem CID: 11813427

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)N)O
• IUPAC Name: 4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
• InChIKey: XMBLVFBRAADPJF-ZRRKCSAHSA-N
• INCHI: 1S/C30H31N3O6/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(34)18-28(39-26)33-17-16-27(31)32-29(33)35/h3-17,25-26,28,34H,18-19H2,1-2H3,(H2,31,32,35)/t25-,26+,28+/m0/s1
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O
• Alternate CAS: 76512-82-8
• PubChem CID: 11813427

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Pyrimidine 2'-deoxyribonucleosides Benzylethers Anisoles Methoxybenzenes Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Pyrimidones Imidolactams Hydropyrimidines Primary aromatic amines Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenyl compound - Pyrimidine 2'-deoxyribonucleoside - Pyrimidine nucleoside - Benzylether - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Primary aromatic amine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Hydropyrimidine - Heteroaromatic compound - Oxolane - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl 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

Chemical and Physical Properties

• Molecular Weight: 529.600 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 529.221 Da
• Monoisotopic Mass: 529.221 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 850.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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