chempirical

Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

C44H54N7O8PCAS 93183-15-4839.93 g/mol

Open in Covalent MOL file
OOONNHONNHONOPONNO
EtherNitrilePhenolTertiary amine

Properties

Molecular formula
C44H54N7O8P
Molar mass
839.93 g/mol
Exact mass
839.3771 Da
logP
8.75Crippen estimate
Polar surface area
178.8 Ų
H-bond donors / acceptors
2 / 13
Rotatable bonds
19
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
93183-15-4
SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(O)nc(N=C(O)C(C)C)nc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIKey
FDRMKYVTIFSDPR-MMROLVBFSA-N
InChI
InChI=1S/C44H54N7O8P/c1-28(2)41(52)48-43-47-40-39(42(53)49-43)46-27-50(40)38-25-36(59-60(57-24-12-23-45)51(29(3)4)30(5)6)37(58-38)26-56-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36-38H,12,24-26H2,1-8H3,(H2,47,48,49,52,53)/t36-,37+,38+,60?/m0/s1

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Names and synonyms

2 names
  • Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl bis(1-methylethyl)phosphoramidite]
  • 5′-Dimethoxytrityl-N-isobutyryl-2′-deoxyguanosine,3′-[(2-cyanoethyl)-(N,N-diisopropyl)]-phosphoramidite

Work with Guanosine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)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

DA-CE phosphoramidite98796-53-370 % similar 5′-O-[Bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-N-(2-methyl-1-oxopropyl)guanosine68892-41-169 % similar DMT-dT phosphoramidite98796-51-165 % similar 5′-O-(4,4′-Dimethoxytrityl)-2′-deoxyuridine-3′-O-[O-(2-cyanoethyl)-N,N′-diisopropylphosphoramidite]109389-30-265 % similar Cytidine, N-benzoyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-deoxy-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]102212-98-664 % similar 5'-O-(4,4'-Dimethoxytrityl)-N6-phenoxyacetyl-2'-deoxyadenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite110543-74-363 % similar Dmt-dcytidine (N6-benzoyl) cyanoethyl phosphoramidite)110522-84-462 % similar Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O-methyl-, 3′-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]110764-79-953 % similar

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

Elsewhere

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