Basic information
- CAS
81276-41-7- Standard SMILES
Nc1ccn([C@@H]2CC[C@@H](CO)O2)c(=O)n1- InChIKey
WREGKURFCTUGRC-XPUUQOCRSA-N- Molecular formula
- C9H13N3O3
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.09569129
Names & identifiers
- Preferred name
- 4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
- IUPAC
- 4-amino-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Names & synonyms
.alpha.-D-ddCSCHEMBL9194365DTXSID308600132',3'-Dideoxy-.alpha.-D-cytidine4-amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one81276-41-74-Amino-1-[(2S,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2(1H)-one2(1H)-Pyrimidinone, 4-amino-1-[(2S,5S)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-4-Amino-1-[(2S,5S)-5-(hydroxymethyl)tetrahydro-2-furanyl]-2(1H)-pyrimidinone116561-09-2
Database identifiers
- CAS
81276-41-7- PubChem CID
- 676643
- DTXSID
DTXSID30860013- Nikkaji
- J895.740A
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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