4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
Basic information
- CAS
55085-34-2- Standard SMILES
Nc1ccn([C@@H]2O[C@H](CCO)[C@@H](O)[C@H]2O)c(=O)n1- InChIKey
LJBKDGZXUROQIV-ZOQUXTDFSA-N- Molecular formula
- C10H15N3O5
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.10117059
Names & identifiers
- Preferred name
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
- IUPAC
- 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 1-(5-deoxy-beta-D-hexofuranosyl)cytosine
- Molecular formula
- C10H15N3O5
- Molecular weight
- 257.25
Names & synonyms
5'-Homocytidine55085-34-2Homocytidine4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-oneorb1907338SCHEMBL31398380DTXSID70970443TNU16721-(5-Deoxy-beta-D-hexofuranosyl)cytosine1-(5-Deoxyhexofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol1-(5-Deoxy-beta-D-ribo-hexofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol2(1H)-Pyrimidinone, 4-amino-1-(5-deoxy-beta-D-ribo-hexopyranosyl)-
Show more names
4-Amino-1-(5-deoxy-β-D-ribo-hexofuranosyl)-2(1H)-pyrimidinone2(1H)-Pyrimidinone, 4-amino-1-(5-deoxy-β-D-ribo-hexofuranosyl)-Uridine, 2′,3′-bis-O-[(1,1-dimethylethyl)dimethylsilyl]- (9CI, ACI)
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Boiling point
- 542.8 · 542.8±60.0 °C(Predicted)
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 13.55 · 13.55±0.70(Predicted)
Chemistry & industry
Applications
Uses5'- Homocytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
Related reactions
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Compound notes
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