DMT-dI Phosphoramidite - ≥98%, total of isomers , CAS No.141684-35-7

CAS: 141684-35-7 Cat. No.: B299891 Formula: C₄₀H₄₇N₆O₇P Molecular Weight: 754.82 EC Number: 853-150-1

GRADE & PURITY ≥98%, total of isomers

Synonyms

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxyinosine | (2R,3S,5R)-2-[[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl]-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3-yl (2-Cyanoethyl) Diisopropylphos

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Phosphoramidite is a modified phosphoramidite monomer used for the oligonucleotide synthesis.

Specifications

Synonyms

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-[(2-cyanoethoxy)(diisopropylamino)phosphino]-2'-deoxyinosine | (2R,3S,5R)-2-[[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl]-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-3-yl (2-Cyanoethyl) Diisopropylphos

Specifications & Purity

≥98%, total of isomers

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

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=C5N=CNC6=O

IUPAC Name

3-[[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(6-oxo-1H-purin-9-yl)oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

InChIKey

ZKGZROFWRPJVEB-XZYUMQGLSA-N

INCHI

1S/C40H47N6O7P/c1-27(2)46(28(3)4)54(51-22-10-21-41)53-34-23-36(45-26-44-37-38(45)42-25-43-39(37)47)52-35(34)24-50-40(29-11-8-7-9-12-29,30-13-17-32(48-5)18-14-30)31-15-19-33(49-6)20-16-31/h7-9,11-20,25-28,34-36H,10,22-24H2,1-6H3,(H,42,43,47)/t34-,35+,36+,54?/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=C5N=CNC6=O

Molecular Weight

754.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Nucleoside and nucleotide analogues
      • Subclass Ribonucleoside phosphoramidites

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Nucleoside and nucleotide analogues
• Subclass: Ribonucleoside phosphoramidites
• Intermediate Tree Nodes: Not available
• Direct Parent: Ribonucleoside phosphoramidites
• Alternative Parents: Alpha amino acid amides Hypoxanthines 6-oxopurines Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers N-substituted imidazoles Monosaccharides Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Formamidines Dialkyl ethers Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Ribonucleoside phosphoramidite - Alpha-amino acid amide - Hypoxanthine - Alpha-amino acid or derivatives - 6-oxopurine - Imidazopyrimidine - Benzylether - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - N-substituted imidazole - Monosaccharide - 1,6-dihydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Azole - Lactam - Formamidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Nitrile - Carbonitrile - Ether - Dialkyl ether - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as ribonucleoside phosphoramidites. These are ribonucleoside analogues that consist of a nucleobase (usually purine or pyrimidine), linked to a ribose or deoxyribose, which is protected at the 2',3', or 5'-position by a phosphoramidite group.
• 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: air sensitive；Moisture sensitive；light sensitive；heat sensitive
• Molecular Weight: 754.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 17
• Exact Mass: 754.324 Da
• Monoisotopic Mass: 754.324 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1230.000
• 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