(2R,3R,4S,5S)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite

C45H61N4O9PSiCAS 163496-23-9861.06 g/mol

Open in Covalent MOL file
NPONOOOSiNHOHNOOOO
EtherNitrileSilyl etherTertiary amine

Properties

Molecular formula
C45H61N4O9PSi
Molar mass
861.06 g/mol
Exact mass
860.3945 Da
logP
8.58Crippen estimate
Polar surface area
157.4 Ų
H-bond donors / acceptors
2 / 11
Rotatable bonds
19
Stereocentres
R, R, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
163496-23-9
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C2=CNC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChIKey
JPJHNALDAAZFFN-LMNGBUJGSA-N
InChI
InChI=1S/C45H61N4O9PSi/c1-30(2)49(31(3)4)59(55-27-15-26-46)57-40-38(56-39(37-28-47-43(51)48-42(37)50)41(40)58-60(10,11)44(5,6)7)29-54-45(32-16-13-12-14-17-32,33-18-22-35(52-8)23-19-33)34-20-24-36(53-9)25-21-34/h12-14,16-25,28,30-31,38-41H,15,27,29H2,1-11H3,(H2,47,48,50,51)/t38-,39+,40-,41+,59?/m1/s1

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Names and synonyms

1 names
  • Pseudouridine cep

Work with (2R,3R,4S,5S)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((tert-butyldimethylsilyl)oxy)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite

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

N1-Methylpseudouridine cep875302-45-779 % similar 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]acetamide121058-88-659 % similar N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite104992-55-457 % similar 5'-O-(4,4-Dimethoxytrityl)-2'-deoxy-2'-fluorouridine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite146954-75-855 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-953 % similar 5'-O-(4,4-Dimethoxytrityl)-2'-O-methyl-N-isobutyrylguanosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite150780-67-951 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-250 % similar N-Acetyl-5'-O-(4,4-dimethoxytrityl)-2'-O-methylcytidine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite199593-09-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

rU Phosphoramidite118362-03-1

Elsewhere

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