DMT-dA(bz) Phosphoramidite - ≥99%, mixture of isomers , CAS No.98796-53-3

CAS: 98796-53-3 Cat. No.: D120143 Formula: C₄₇H₅₂N₇O₇P Molecular Weight: 857.93 EC Number: 685-521-7 PubChem CID: 9962711

GRADE & PURITY ≥99%, mixture of isomers

Synonyms

DMT-dA(bz) Phosphoramidite, configured for MerMade | 5'-O-DMT-N6-Benzoyl-2'-Deoxyadenosine-CE Phosphoramidite | (2R,3S,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphor

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DMT-dA(bz) Phosphoramidite, configured for MerMade | 5'-O-DMT-N6-Benzoyl-2'-Deoxyadenosine-CE Phosphoramidite | (2R,3S,5R)-5-(6-Benzamido-9H-purin-9-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphor

Specifications & Purity

≥99%, mixture of isomers

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

488196474

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196474

Canonical Smiles

CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7

IUPAC Name

N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]purin-6-yl]benzamide

InChIKey

GGDNKEQZFSTIMJ-AKWFTNRHSA-N

INCHI

1S/C47H52N7O7P/c1-32(2)54(33(3)4)62(59-27-13-26-48)61-40-28-42(53-31-51-43-44(49-30-50-45(43)53)52-46(55)34-14-9-7-10-15-34)60-41(40)29-58-47(35-16-11-8-12-17-35,36-18-22-38(56-5)23-19-36)37-20-24-39(57-6)25-21-37/h7-12,14-25,30-33,40-42H,13,27-29H2,1-6H3,(H,49,50,52,55)/t40-,41+,42+,62?/m0/s1

Isomeric SMILES

CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7

WGK Germany

3

PubChem CID

9962711

Molecular Weight

857.93

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: Ribonucleoside phosphoramidites Benzamides Benzylethers Purines and purine derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers N-substituted imidazoles Imidolactams Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Oxolanes Secondary carboxylic acid amides Nitriles Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triphenyl compound - Ribonucleoside phosphoramidite - Imidazopyrimidine - Purine - Benzylether - Benzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Imidolactam - Pyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Imidazole - Oxolane - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Nitrile - Carbonitrile - Organooxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Molecular Weight: 857.900 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 19
• Exact Mass: 857.367 Da
• Monoisotopic Mass: 857.367 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 62
• Formal Charge: 0
• Complexity: 1380.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1