DA-CE phosphoramidite

C47H52N7O7PCAS 98796-53-3857.95 g/mol

Open in Covalent MOL file
OOONNHNONNOPONNO
EtherNitrileTertiary amine

Properties

Molecular formula
C47H52N7O7P
Molar mass
857.95 g/mol
Exact mass
857.3666 Da
logP
9.44Crippen estimate
Polar surface area
158.6 Ų
H-bond donors / acceptors
1 / 12
Rotatable bonds
19
Stereocentres
R, R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 121 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
98796-53-3
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N=C(O)c5ccccc5)ncnc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
GGDNKEQZFSTIMJ-AKWFTNRHSA-N
InChI
InChI=1S/C47H52N7O7P/c1-32(2)54(33(3)4)62(59-27-13-26-48)61-40-28-42(53-31-51-43-44(49-30-50-45(43)53)52-46(55)34-14-9-7-10-15-34)60-41(40)29-58-47(35-16-11-8-12-17-35,36-18-22-38(56-5)23-19-36)37-20-24-39(57-6)25-21-37/h7-12,14-25,30-33,40-42H,13,27-29H2,1-6H3,(H,49,50,52,55)/t40-,41+,42+,62?/m0/s1

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Names and synonyms

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

Work with DA-CE phosphoramidite

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

5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-371 % similar Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]93183-15-470 % similar Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-667 % similar N-Benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxyadenosine64325-78-666 % similar N4-(Dimethylamino)methylene)-5'-O-(dimethoxytrityl)-2'-deoxyguanosine-3'-N,N-diisopropyl (cyanoethyl) phosphoramidite330628-04-166 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-263 % similar DMT-dT phosphoramidite98796-51-162 % similar 5'-Dimethoxytrityl-N-P-isopropyl-phenoxyacetyl-2'-deoxyguanosine, 3'-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite150065-82-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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