N-[1-[5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

C₄₇H₆₄N₅O₉PSiCAS 121058-88-6902.11 g/mol

Open in Covalent MOL file

Amide Ether Nitrile Silyl ether Tertiary amine

Properties

Molecular formula: C₄₇H₆₄N₅O₉PSi
Molar mass: 902.11 g/mol
Exact mass: 901.4211 Da
logP: 9.18Crippen estimate
Polar surface area: 155.6 Å²
H-bond donors / acceptors: 1 / 12
Rotatable bonds: 20

Identifiers

CAS number

121058-88-6

SMILES

CC(C)N(C(C)C)P(OCCC#N)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

InChIKey

QKWKXYVKGFKODW-UHFFFAOYSA-N

InChI

InChI=1S/C47H64N5O9PSi/c1-32(2)52(33(3)4)62(58-30-16-28-48)60-42-40(59-44(43(42)61-63(11,12)46(6,7)8)51-29-27-41(49-34(5)53)50-45(51)54)31-57-47(35-17-14-13-15-18-35,36-19-23-38(55-9)24-20-36)37-21-25-39(56-10)26-22-37/h13-15,17-27,29,32-33,40,42-44H,16,30-31H2,1-12H3,(H,49,50,53,54)

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Names and synonyms

1 names

N-Acetyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]cytidine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

Work with N-[1-[5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxy-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

rU Phosphoramidite118362-03-171 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-967 % similar N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite104992-55-467 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-463 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-259 % similar DMT-dT phosphoramidite98796-51-153 % similar Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-650 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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