3'-Amino-2',3'-dideoxycytidine
Basic information
- CAS
84472-90-2- Standard SMILES
Nc1ccn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)n1- InChIKey
LDQAHTVPOZCQNH-SHYZEUOFSA-N- Molecular formula
- C9H14N4O3
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.10659032
Names & identifiers
- Preferred name
- 3'-Amino-2',3'-dideoxycytidine
- IUPAC
- 4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 3'-amino-2',3'-dideoxycytidine
- Molecular formula
- C9H14N4O3
- Molecular weight
- 226.23
Names & synonyms
3'-Amino-2',3'-dideoxycytidine84472-90-2RefChem:90298Cytidine, 3'-amino-2',3'-dideoxy-MFCD008708944-amino-1-((2R,4S,5S)-4-amino-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one3-Amino-2,3-dideoxycytidine4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-oneNSC3651073'-Amino-2',3'-dideoxycytidine; NSC 3651073'-NH2-ddC
Show more names
4-Amino-1-[4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one1-((2R,4S,5R)-5-(azidomethyl)-4-hydroxytetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione
Cytidine der.4-amino-1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-oneNSC 365107Cytidine,3'-amino-2',3'-dideoxy- (9CI)3'-NH?-ddCorb3180165SCHEMBL4117883CHEMBL1791179
Database identifiers
- CAS
84472-90-2- PubChem CID
- 73515
- ChEMBL
CHEMBL1791179- Nikkaji
- J500.513B
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Melting point
- 210 °C · >210°C (dec.)
- Boiling point
- 450.2 · 450.2±55.0 °C(Predicted)
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 14.44 · 14.44±0.10(Predicted)
- color
- White to Off-White
- Stability
- Hygroscopic
Chemistry & industry
Applications
Uses3''-Amino-2'',3''-dideoxycytidine CAn be used to recognized Cytidine Deaminase. In doing so it can be effective in the treatment of leukemia.
Related reactions
4 records
Compound notes
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