5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-O,4'-C-methyleneguanosine
Basic information
- CAS
206055-72-3- Standard SMILES
COc1ccc(C(OC[C@@]23CO[C@@H]([C@H](n4cnc5c(=O)[nH]c(NC(=O)C(C)C)nc54)O2)[C@@H]3O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
JMGQUFRCVHVMAX-UBMDZZGASA-N- Molecular formula
- C36H37N5O8
- Average molar mass
- 667.7 g/mol
- Monoisotopic mass
- 667.26421316
Names & identifiers
- Preferred name
- 5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-O,4'-C-methyleneguanosine
- IUPAC
- N-[9-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
- English name
- 5'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-O,4'-C-methyleneguanosine
- Molecular formula
- C36H37N5O8
- Molecular weight
- 667.71
Names & synonyms
206055-72-35'-O-[Bis(4-methoxyphenyl)phenylmethyl]-2'-O,4'-C-methylene-N-(2-methyl-1-oxopropyl)guanosineorb3180028SCHEMBL1096942JMGQUFRCVHVMAX-UBMDZZGASA-NDTXSID8011163595'-O-(4,4'-Dimethoxytrityl)-N2-isobutyryl-2'-O,4'-C-methyleneguanosineH37553(1R,3R,4R,7S)-1-(4,4'-Dimethoxytrityloxymethyl)-7-hydroxy-3-(2-N-isobutyrylguanin-9-yl)-2,5-dioxabicyclo[2.2.1]heptane5 inverted exclamation marka-O-[Bis(4-methoxyphenyl)phenylmethyl]-2 inverted exclamation marka-O,4 inverted exclamation marka-C-methylene-N-(2-methyl-1-oxopropyl)guanosine9-(2,5-Anhydro-4-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-alpha-L-lyxofuranosyl)-2-(2-methylpropanamido)-3,9-dihydro-6H-purin-6-oneGuanosine, 5 inverted exclamation marka-O-[bis(4-methoxyphenyl)phenylmethyl]-2 inverted exclamation marka-O,4 inverted exclamation marka-C-methylene-N-(2-methyl-1-oxopropyl)-
Show more names
5'-O-DMTr-2'-O-4'-C-Locked-rG(iBu)Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-O,4'-C-methylene-N-(2-methyl-1-oxopropyl)- (9CI)
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,190
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
4 records
Compound notes
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