Basic information
- CAS
132776-28-4- Standard SMILES
Cc1cn2c(nc1=O)OC1[C@H]2O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(=S)n1ccnc1- InChIKey
UWCSOULKJRMOJX-ZZYOZKBCSA-N- Molecular formula
- C33H28N4O5S
- Average molar mass
- 592.7 g/mol
- Monoisotopic mass
- 592.17804118
Names & identifiers
- Preferred name
- Anhydro-trityl-imidazoyl-thiocarbonyl-T
- IUPAC
- O-[(2R,4R,5R)-11-methyl-10-oxo-4-(trityloxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-yl] imidazole-1-carbothioate
Names & synonyms
Anhydro-trityl-imidazoyl-thiocarbonyl-T132776-28-42,2'-Anhydro-5'-O-trityl-3'-O-(1-imidazoyl(thiocarbonyl))thymidine2,2'-Anhydro-5'-O-trityl-3'-O-[1-imidazoyl(thiocarbonyl)]thymidineDTXSID50927819O-[(2R,3R,9aR)-7-methyl-6-oxo-2-(trityloxymethyl)-2,3,3a,9a-tetrahydrofuro[[?]:[?]]oxazolo[[?]]pyrimidin-3-yl] imidazole-1-carbothioateO-{(2R,3R,9aR)-7-Methyl-6-oxo-2-[(triphenylmethoxy)methyl]-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl} 1H-imidazole-1-carbothioateO-{7-Methyl-6-oxo-2-[(triphenylmethoxy)methyl]-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl} 1H-imidazole-1-carbothioate
Database identifiers
- CAS
132776-28-4- PubChem CID
- 453038
- DTXSID
DTXSID50927819
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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