Basic information
- CAS
247025-17-8- Standard SMILES
Cc1cn([C@@H]2O[C@@]3(CO)CO[C@@H]2[C@@H]3N=[N+]=[N-])c(=O)[nH]c1=O- InChIKey
AOWRUWIBZOODMX-SZVQBCOZSA-N- Molecular formula
- C11H13N5O5
- Average molar mass
- 295.25 g/mol
- Monoisotopic mass
- 295.09166853
Names & identifiers
- Preferred name
- 1-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione
- IUPAC
- 1-[(1S,3R,4R,7S)-7-azido-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methylpyrimidine-2,4-dione
Names & synonyms
DTXSID7011106031-[(1R,4S,6R,7S)-7-azido-4-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-6-yl]-5-methyl-pyrimidine-2,4-dione247025-17-81-(3-Azido-3-deoxy-2-O,4-C-methylene-.beta.-D-ribofuranosyl)-thymine1-[2,5-Anhydro-3-azido-3-deoxy-4-C-(hydroxymethyl)-I+/--L-lyxofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
247025-17-8- PubChem CID
- 460993
- DTXSID
DTXSID701110603- Nikkaji
- J1.164.639E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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