2',3'-Didehydro-2',3'-dideoxycytidine
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Basic information
- CAS
7481-88-1- Standard SMILES
Nc1ccn([C@H]2C=C[C@@H](CO)O2)c(=O)n1- InChIKey
OOBICGOWICFMIX-POYBYMJQSA-N- Molecular formula
- C9H11N3O3
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.08004122
Overview
2',3'-Didehydro-2',3'-dideoxycytidine is a nucleobase-containing molecular entity and a carbohydrate derivative.
Names & identifiers
- Preferred name
- 2',3'-Didehydro-2',3'-dideoxycytidine
- IUPAC
- 4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
- English name
- ZALCITABINE RELATED COMPOUND A (50 MG) (2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE)
- Molecular formula
- C9H11N3O3
- Molecular weight
- 209.2
Names & synonyms
7481-88-12',3'-didehydro-2',3'-dideoxycytidineddeCyd2',3'-DideoxycytidineneCI9X00489LDTXSID302257842',3'-DDDC2',3'-dideoxy-2',3-didehydrocytidineRefChem:800462',3'-dideoxy-2',3'-didehydrocytidineneDTXCID60148275Dideoxycytidinene
Show more names
D4C2',3'-dideoxy-2'-cytidineneZalcitabine Related CoMpound A2,3’-didehydro-2’,3’-dideoxy-cytidin2’,3’-dideoxy-2’,3’-didehydrocytidineCytidine, 2',3'-didehydro-2',3'-dideoxy-
2',3'-Dideoxy-2',3'-didehydrocytidine4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-oneCHEMBL21152784-Amino-1-((2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl)pyrimidin-2(1H)-oneddddCUNII-CI9X00489L4-Amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2(1H)-one4-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1,2-dihydropyrimidin-2-one
Database identifiers
- CAS
7481-88-1
Properties
Computed structural propertiesFilling in
- XLogP
- -1.6
- 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
- 362
Experimental & physicochemical properties
LogP-0.7
Physicochemical properties
- Melting point
- 168 · 168-169℃ (ethanol )
- Boiling point
- 425.4 · 425.4±55.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Ethanol (Slightly, Sonicated)
- form
- Solid
- pka
- 14.28 · 14.28±0.10(Predicted)
- color
- Off-White to Pale Yellow
- Stability
- Hygroscopic
- FDA UNII
- 9 X00489L · CI9X00489L
- HS Code
- 2934990002 · 2934990002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934990002
Chemistry & industry
Applications
UsesDideoxycytidinene, can be used for the synthesis of Zalcitabine (Z140000), which is pyrimidine nucleoside analogue with antiviral activity.
UsesZALCITABINE RELATED COMPOUND A (50 MG) (2',3'-DIDEHYDRO-2',3'-DIDEOXYCYTIDINE), can be used for the syntheis of Zalcitabine (Z140000), which is pyrimidine nucleoside analogue with antiviral activity.
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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