5'-O-DMT-PAC-dA - ≥99% , CAS No.110522-82-2

CAS: 110522-82-2 Cat. No.: O651068 Formula: C₃₉H₃₇N₅O₇ Peso molecolare: 687.76 PubChem CID: 13888002

GRADE & PURITY ≥99%

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

5'-O-DMT-PAC-dA can be used in the synthesis of oligoribonucleotides.

Form:Solid

Specifications

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

5'-O-DMT-PAC-dA can be used in the synthesis of oligoribonucleotides.

Condizioni di conservazione di stoccaggio

Protected from light,Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7)O

IUPAC Name

N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]purin-6-yl]-2-phenoxyacetamide

InChIKey

JDJUQANHKJNEFT-VUHKNJSWSA-N

INCHI

1S/C39H37N5O7/c1-47-29-17-13-27(14-18-29)39(26-9-5-3-6-10-26,28-15-19-30(48-2)20-16-28)50-22-33-32(45)21-35(51-33)44-25-42-36-37(40-24-41-38(36)44)43-34(46)23-49-31-11-7-4-8-12-31/h3-20,24-25,32-33,35,45H,21-23H2,1-2H3,(H,40,41,43,46)/t32-,33+,35+/m0/s1

Isomeri 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=NC6=C(N=CN=C65)NC(=O)COC7=CC=CC=C7)O

PubChem CID

13888002

Peso molecolare

687.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Purine 2'-deoxyribonucleosides Benzylethers Purines and purine derivatives Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers N-substituted imidazoles Imidolactams Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Secondary alcohols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Purine 2'-deoxyribonucleoside - Purine nucleoside - Benzylether - Imidazopyrimidine - Purine - Anisole - Phenoxy compound - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Imidolactam - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Azole - Oxolane - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 250 mg/mL (363.51 mM; Need ultrasonic)
• Peso molecolare: 687.700 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 13
• Exact Mass: 687.269 Da
• Monoisotopic Mass: 687.269 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1050.000
• 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