Basic information
- CAS
133177-88-5- Standard SMILES
CCc1cn2c(nc1=O)O[C@H]1C[C@@H](CO)O[C@H]12- InChIKey
ROUCYSJMIIFONE-OYNCUSHFSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2,2'-Anhydro-3'-deoxy-5-ethyluridine
- IUPAC
- (2R,4S,6S)-11-ethyl-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one
- English name
- 2,2'-anhydro-3'-deoxy-5-ethyluridine
- Molecular formula
- C11H14N2O4
- Molecular weight
- 238.24
Names & synonyms
ADEU2,2'-Anhydro-3'-deoxy-5-ethyluridine133177-88-5DTXSID40157981RefChem:80672DTXCID8080472SCHEMBL29959486(2S,3aS,9aR)-7-Ethyl-2-(hydroxymethyl)-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-6-one6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 7-ethyl-2,3,3a,9a-tetrahydro-2-(hydroxymethyl)-, [2S-(2α,3aβ,9aβ)]- (9CI)
Database identifiers
- CAS
133177-88-5- PubChem CID
- 196857
- DTXSID
DTXSID40157981
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Boiling point
- 391.333 · 391.333±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.628 · 1.628±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.145 · 14.145±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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