chempirical

5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]

C39H47N4O8PCAS 109389-30-2730.80 g/mol

Open in Covalent MOL file
OOONHONOOPONNO
EtherNitrilePhenolTertiary amine

Properties

Molecular formula
C39H47N4O8P
Molar mass
730.80 g/mol
Exact mass
730.3132 Da
logP
6.92Crippen estimate
Polar surface area
137.5 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
17
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
109389-30-2
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
ZGJUDTLSWZPIDW-MVFNBKNKSA-N
InChI
InChI=1S/C39H47N4O8P/c1-27(2)43(28(3)4)52(49-24-10-22-40)51-34-25-37(42-23-21-36(44)41-38(42)45)50-35(34)26-48-39(29-11-8-7-9-12-29,30-13-17-32(46-5)18-14-30)31-15-19-33(47-6)20-16-31/h7-9,11-21,23,27-28,34-35,37H,10,24-26H2,1-6H3,(H,41,44,45)/t34-,35+,37+,52?/m0/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]
  • Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite]

Work with 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-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

DMT-dT phosphoramidite98796-51-182 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-979 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-477 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-465 % similar DA-CE phosphoramidite98796-53-363 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-360 % 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 rU Phosphoramidite118362-03-156 % similar

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

Elsewhere

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