chempirical

N1-Methylpseudouridine cep

C46H63N4O9PSiCAS 875302-45-7875.09 g/mol

Open in Covalent MOL file
NPONOOOSiNONHOOOO
EtherNitrileSilyl etherTertiary amine

Properties

Molecular formula
C46H63N4O9PSi
Molar mass
875.09 g/mol
Exact mass
874.4102 Da
logP
8.59Crippen estimate
Polar surface area
146.5 Ų
H-bond donors / acceptors
1 / 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. Search the SDS library

Identifiers

CAS number
875302-45-7
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=CN(C(=O)NC2=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChIKey
ZDZLHJPETUXZJT-NSASEYFNSA-N
InChI
InChI=1S/C46H63N4O9PSi/c1-31(2)50(32(3)4)60(56-28-16-27-47)58-41-39(57-40(38-29-49(8)44(52)48-43(38)51)42(41)59-61(11,12)45(5,6)7)30-55-46(33-17-14-13-15-18-33,34-19-23-36(53-9)24-20-34)35-21-25-37(54-10)26-22-35/h13-15,17-26,29,31-32,39-42H,16,28,30H2,1-12H3,(H,48,51,52)/t39-,40+,41-,42+,60?/m1/s1

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Names and synonyms

1 names
  • 5'-DMT-2'-O-TBDMS-N1-methyl-PseudoUridine-CE-phosphoramidite

Work with N1-Methylpseudouridine cep

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

(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) diisopropylphosphoramidite163496-23-979 % similar rU Phosphoramidite118362-03-172 % 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 5'-O-(4,4-Dimethoxytrityl)-2'-deoxy-2'-fluorouridine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite146954-75-858 % similar N-Benzoyl-5'-O-(4,4-dimethoxytrityl)-2'-O-[(tert-butyl)dimethylsilyl]adenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite104992-55-457 % 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′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-252 % similar DMT-dT phosphoramidite98796-51-151 % similar

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

Elsewhere

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