4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Completing data — refresh the page later to see the latest
Basic information
- CAS
27921-78-4- Standard SMILES
Nc1ccn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)n1- InChIKey
UHDGCWIWMRVCDJ-JPCMASIJSA-N- Molecular formula
- C9H13N3O5
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.08552052
Names & identifiers
- Preferred name
- 4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
- IUPAC
- 4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 1-β-L-Arabinofuranosylcytosine
- Molecular formula
- C9H13N3O5
- Molecular weight
- 243.22
Names & synonyms
27921-78-44-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one.Beta.-L-Ara-CSCHEMBL42786331-.Beta.-L-ArabinofuranosylcytosineEBC-66077NCGC00482613-02Cytarabine Impurity 51; Azacitidine Impurity 20EN300-371586222(1H)-Pyrimidinone, 4-amino-1-Beta-L-arabinofuranosyl-4-amino-1-((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one4-amino-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Show more names
Cytarabine Impurity 51Cytarabine Impurity 471-β-L-Arabinofuranosylcytosine1-β-L-ArabinofuranosylcytosineCytosine, 1-β-L-arabinofuranosyl- (8CI)2(1H)-Pyrimidinone, 4-amino-1-β-L-arabinofuranosyl-
Properties
Computed structural propertiesFilling in
- XLogP
- -2.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 545.7 · 545.7±60.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.70(Predicted)
Related reactions
0 records
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Compound notes
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