5'-DMT-3'-TBDMS-Bz-rA - ≥95% , CAS No.81256-88-4

CAS: 81256-88-4 Cat. No.: D195158 Formula: C₄₄H₄₉N₅O₇Si Peso molecolare: 787.98 PubChem CID: 13888052

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC(C)(C)[Si](C)(C)OC1C(OC(C1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

IUPAC Name

N-[9-[(2R,3R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoxolan-2-yl]purin-6-yl]benzamide

InChIKey

QNPRMZLAAWKAPQ-GNECSJIWSA-N

INCHI

1S/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-35(55-42(37(38)50)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-29)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20-24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,45,46,48,51)/t35-,37-,38-,42-/m1/s1

Isomeri SMILES

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

PubChem CID

13888052

Peso molecolare

787.98

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 nucleosides Glycosylamines Pentoses Benzylethers Benzamides Purines and purine derivatives Methoxybenzenes Benzoyl derivatives Phenoxy compounds Anisoles Alkyl aryl ethers Imidolactams N-substituted imidazoles Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Trialkylheterosilanes Oxolanes Secondary carboxylic acid amides Secondary alcohols Silyl ethers Oxacyclic compounds Azacyclic compounds Organic metalloid salts Dialkyl ethers Organonitrogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Purine nucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Benzamide - Benzoic acid or derivatives - Benzylether - Imidazopyrimidine - Purine - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monosaccharide - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Trialkylheterosilane - Imidazole - Oxolane - Azole - Heteroaromatic compound - Secondary alcohol - Secondary carboxylic acid amide - Silyl ether - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterosilane - Organoheterocyclic compound - Dialkyl ether - Organic metalloid salt - Ether - Organosilicon compound - Organic oxygen compound - Alcohol - Organic oxide - Organic metalloid moeity - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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

• Peso molecolare: 788.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 787.34 Da
• Monoisotopic Mass: 787.34 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 1250.000
• 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

XLogP3

Domande frequenti

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81256-88-4, the molecular formula is C44H49N5O7Si, and the molecular weight is 787.98 g/mol. InChIKey QNPRMZLAAWKAPQ-GNECSJIWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.